N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine

C16H35N3 — CID 102994452

IUPACN'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1(N)CCCCC1
InChIInChI=1S/C16H35N3/c1-4-18(5-2)13-10-14-19(6-3)15-16(17)11-8-7-9-12-16/h4-15,17H2,1-3H3
InChIKeyNXAKJGJBNMRSBW-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.70
Rot. Bonds9

About N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102994452) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102994452
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1(N)CCCCC1
InChIInChI=1S/C16H35N3/c1-4-18(5-2)13-10-14-19(6-3)15-16(17)11-8-7-9-12-16/h4-15,17H2,1-3H3
InChIKeyNXAKJGJBNMRSBW-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102994452) is N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CC1(N)CCCCC1.
What is the InChIKey of N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is NXAKJGJBNMRSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-4-18(5-2)13-10-14-19(6-3)15-16(17)11-8-7-9-12-16/h4-15,17H2,1-3H3.
What are the key properties of N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102994452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).