N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine

C19H40N2 — CID 63482182

IUPACN-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C19H40N2/c1-5-7-14-21(15-8-6-2)17-19(16-20-18(3)4)12-10-9-11-13-19/h18,20H,5-17H2,1-4H3
InChIKeyCHGYTUJRPGEJPI-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds11

About N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine

N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine (PubChem CID 63482182) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
PubChem CID63482182
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C19H40N2/c1-5-7-14-21(15-8-6-2)17-19(16-20-18(3)4)12-10-9-11-13-19/h18,20H,5-17H2,1-4H3
InChIKeyCHGYTUJRPGEJPI-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine with MolForge

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Related Compounds

N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-[[1-[[butyl(ethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63483056
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
CID 62263505
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 63692839
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 107401676

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine (CID 63482182) is N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine is CCCCN(CCCC)CC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine?
The InChIKey is CHGYTUJRPGEJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-5-7-14-21(15-8-6-2)17-19(16-20-18(3)4)12-10-9-11-13-19/h18,20H,5-17H2,1-4H3.
What are the key properties of N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine?
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine is sourced from PubChem (CID 63482182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).