N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

C17H34N2 — CID 62256313

IUPACN-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCCCC(C)N(C)CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C17H34N2/c1-4-8-15(2)19(3)14-17(11-6-5-7-12-17)13-18-16-9-10-16/h15-16,18H,4-14H2,1-3H3
InChIKeyBSGRGNIQDNUZPZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds8

About N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 62256313) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID62256313
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCCCC(C)N(C)CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C17H34N2/c1-4-8-15(2)19(3)14-17(11-6-5-7-12-17)13-18-16-9-10-16/h15-16,18H,4-14H2,1-3H3
InChIKeyBSGRGNIQDNUZPZ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (CID 62256313) is N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is CCCC(C)N(C)CC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is BSGRGNIQDNUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-8-15(2)19(3)14-17(11-6-5-7-12-17)13-18-16-9-10-16/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62256313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).