(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

C15H26NP — CID 134858973

IUPAC(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1P1[C@H](C)CC[C@H]1C)N(C)C
InChIInChI=1S/C15H26NP/c1-11-9-10-12(2)17(11)15-8-6-7-14(15)13(3)16(4)5/h6-8,11-14H,9-10H2,1-5H3/t11-,12-,13-,14?/m1/s1
InChIKeyQSQJDTMKVYZZBO-ZHZAVPAVSA-N
MW251.35 g/mol
LogP4.06
Rot. Bonds3

About (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 134858973) has the molecular formula C15H26NP and a molecular weight of 251.35 g/mol. Its IUPAC name is (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID134858973
Molecular FormulaC15H26NP
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1P1[C@H](C)CC[C@H]1C)N(C)C
InChIInChI=1S/C15H26NP/c1-11-9-10-12(2)17(11)15-8-6-7-14(15)13(3)16(4)5/h6-8,11-14H,9-10H2,1-5H3/t11-,12-,13-,14?/m1/s1
InChIKeyQSQJDTMKVYZZBO-ZHZAVPAVSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 102187363
(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 89256715
(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine
CID 101081109
1-cyclopropyl-N,N-dimethylethanamine
CID 10129924
N,N-dimethyl-1-(4-methylcyclohexyl)ethanamine
CID 138474859
2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde
CID 87395874
N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine
CID 139266431
cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium
CID 174241545
(1R)-N,N-dimethyl-1-(3-methyl-2-phosphanylcyclopentyl)ethanamine
CID 123849739
carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
CID 137319736
(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 162411834
1-ethyl-1,2,3,3a-tetrahydropentalene
CID 18402358

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 134858973) is (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is C[C@H](C1C=CC=C1P1[C@H](C)CC[C@H]1C)N(C)C.
What is the InChIKey of (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is QSQJDTMKVYZZBO-ZHZAVPAVSA-N. The full InChI is InChI=1S/C15H26NP/c1-11-9-10-12(2)17(11)15-8-6-7-14(15)13(3)16(4)5/h6-8,11-14H,9-10H2,1-5H3/t11-,12-,13-,14?/m1/s1.
What are the key properties of (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 251.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134858973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).