N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine

C19H38N2 — CID 63493493

IUPACN,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
SMILESCCCNCC1(CN(C)C2CCCC(C)C2)CCCCC1
InChIInChI=1S/C19H38N2/c1-4-13-20-15-19(11-6-5-7-12-19)16-21(3)18-10-8-9-17(2)14-18/h17-18,20H,4-16H2,1-3H3
InChIKeyFFXATZWSCIMNDE-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine

N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 63493493) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID63493493
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
SMILESCCCNCC1(CN(C)C2CCCC(C)C2)CCCCC1
InChIInChI=1S/C19H38N2/c1-4-13-20-15-19(11-6-5-7-12-19)16-21(3)18-10-8-9-17(2)14-18/h17-18,20H,4-16H2,1-3H3
InChIKeyFFXATZWSCIMNDE-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
CID 62391845
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63493866
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62256264
N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
CID 82743297
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-[(3-ethylpiperidin-3-yl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 63132931
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N,4-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]cyclohexan-1-amine
CID 63495234
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine (CID 63493493) is N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine is CCCNCC1(CN(C)C2CCCC(C)C2)CCCCC1.
What is the InChIKey of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is FFXATZWSCIMNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-13-20-15-19(11-6-5-7-12-19)16-21(3)18-10-8-9-17(2)14-18/h17-18,20H,4-16H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63493493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).