(1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol

C14H30N2O — CID 137448966

IUPAC(1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol
SMILESCC(C)(C)NC[C@H]1C[C@H](O)[C@H](NC(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-13(2,3)15-9-10-7-11(12(17)8-10)16-14(4,5)6/h10-12,15-17H,7-9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyBNNUCWNFJFPMQF-UTUOFQBUSA-N
MW242.41 g/mol
LogP1.90
Rot. Bonds3

About (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol

(1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol (PubChem CID 137448966) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol
PubChem CID137448966
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol
SMILESCC(C)(C)NC[C@H]1C[C@H](O)[C@H](NC(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-13(2,3)15-9-10-7-11(12(17)8-10)16-14(4,5)6/h10-12,15-17H,7-9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyBNNUCWNFJFPMQF-UTUOFQBUSA-N
XLogP1.90
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxycyclobutyl)methyl]-2-methylpropan-2-amine
CID 106824564
N-(cyclopent-3-en-1-ylmethyl)-2-methylpropan-2-amine
CID 65353678
2-methyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]propan-2-amine
CID 171719296
(1S,2S,4S)-2-(tert-butylamino)-4-[[4-(3,4,5-trimethoxyphenoxy)phenyl]methyl]cyclopentan-1-ol
CID 54230597
2-methyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine
CID 162784925
N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine
CID 59100363
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 59867972
N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine
CID 121476891
cis-(1R,2S)-2-(tert-butylamino)-4-[(1R)-1-[4-(4-chlorophenyl)phenyl]-1-hydroxypropyl]cyclopentan-1-ol
CID 54258143
N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030105
tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate
CID 139026814

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol (CID 137448966) is (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol is CC(C)(C)NC[C@H]1C[C@H](O)[C@H](NC(C)(C)C)C1.
What is the InChIKey of (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol?
The InChIKey is BNNUCWNFJFPMQF-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,3)15-9-10-7-11(12(17)8-10)16-14(4,5)6/h10-12,15-17H,7-9H2,1-6H3/t10-,11-,12+/m1/s1.
What are the key properties of (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol?
(1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(tert-butylamino)-4-[(tert-butylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 137448966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).