1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine

C19H38N2 — CID 43081498

IUPAC1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNC2CCCCC2C(C)(C)C)CCCCC1
InChIInChI=1S/C19H38N2/c1-18(2,3)16-11-7-8-12-17(16)20-15-19(21(4)5)13-9-6-10-14-19/h16-17,20H,6-15H2,1-5H3
InChIKeyHEDPIIFXXGJTKE-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds4

About 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine

1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 43081498) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID43081498
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNC2CCCCC2C(C)(C)C)CCCCC1
InChIInChI=1S/C19H38N2/c1-18(2,3)16-11-7-8-12-17(16)20-15-19(21(4)5)13-9-6-10-14-19/h16-17,20H,6-15H2,1-5H3
InChIKeyHEDPIIFXXGJTKE-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
N'-[2-(1,5-dicyclohexylpentan-3-ylamino)ethyl]ethane-1,2-diamine;hydrochloride
CID 90674834
2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 50986555
N'-[(1S)-1-cyclohexylethyl]-N-[(1R,2R,5S)-6,6-dimethylnorpinan-2-yl]ethane-1,2-diamine
CID 6482270
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
Diethylenetriamine, 1,7-bis(2'-methylcyclohexyl)-
CID 23423563
N'-[(1R,2R,3R,5S)-2,6,6-trimethylnorpinan-3-yl]-N-undecyl-ethane-1,2-diamine
CID 16076492
N'-[(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl]-N-undecyl-ethane-1,2-diamine
CID 16076631
2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
CID 75428008
N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 21396664
(3S)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176841621

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine (CID 43081498) is 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(CNC2CCCCC2C(C)(C)C)CCCCC1.
What is the InChIKey of 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is HEDPIIFXXGJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-18(2,3)16-11-7-8-12-17(16)20-15-19(21(4)5)13-9-6-10-14-19/h16-17,20H,6-15H2,1-5H3.
What are the key properties of 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43081498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).