N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine

C18H37N2P — CID 102166217

IUPACN-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P([C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)N(CC)CC
InChIInChI=1S/C18H37N2P/c1-8-19(9-2)21(20(10-3)11-4)16-17(5,6)15-12-13-18(16,7)14-15/h15-16H,8-14H2,1-7H3/t15-,16-,18-/m0/s1
InChIKeyJJLZPIKPEHQGBR-BQFCYCMXSA-N
MW312.48 g/mol
LogP5.20
Rot. Bonds7

About N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine

N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine (PubChem CID 102166217) has the molecular formula C18H37N2P and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine
PubChem CID102166217
Molecular FormulaC18H37N2P
Molecular Weight312.48 g/mol
Exact Mass312.27
IUPAC NameN-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P([C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)N(CC)CC
InChIInChI=1S/C18H37N2P/c1-8-19(9-2)21(20(10-3)11-4)16-17(5,6)15-12-13-18(16,7)14-15/h15-16H,8-14H2,1-7H3/t15-,16-,18-/m0/s1
InChIKeyJJLZPIKPEHQGBR-BQFCYCMXSA-N
XLogP5.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184537
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651
(1S,2R,4R)-1,3,3-trimethyl-2-prop-2-ynoxybicyclo[2.2.1]heptane
CID 101138228
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 14365455
1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane
CID 71217404
1,3,3-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane
CID 173187277
N-(3-ethylsulfanylpropyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113473531
O-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)] carbamothioate
CID 130018039
N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 115401436

Frequently Asked Questions

What is the IUPAC name of N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine (CID 102166217) is N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine is CCN(CC)P([C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)N(CC)CC.
What is the InChIKey of N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine?
The InChIKey is JJLZPIKPEHQGBR-BQFCYCMXSA-N. The full InChI is InChI=1S/C18H37N2P/c1-8-19(9-2)21(20(10-3)11-4)16-17(5,6)15-12-13-18(16,7)14-15/h15-16H,8-14H2,1-7H3/t15-,16-,18-/m0/s1.
What are the key properties of N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine?
N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine has a molecular weight of 312.48 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 102166217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).