1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine

C16H35N3 — CID 43751567

IUPAC1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C16H35N3/c1-13(2)10-16(12-18(4)5)17-14(3)15-8-7-9-19(6)11-15/h13-17H,7-12H2,1-6H3
InChIKeyGXXUMJDLMXQJKM-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine (PubChem CID 43751567) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine
PubChem CID43751567
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C16H35N3/c1-13(2)10-16(12-18(4)5)17-14(3)15-8-7-9-19(6)11-15/h13-17H,7-12H2,1-6H3
InChIKeyGXXUMJDLMXQJKM-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-cyclopentylethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62632470
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
2-N-(1-cyclobutylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716709
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 107094221
2-N-(1-cyclopropylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716711
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875
N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
CID 81386842

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine (CID 43751567) is 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine is CC(C)CC(CN(C)C)NC(C)C1CCCN(C)C1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine?
The InChIKey is GXXUMJDLMXQJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-13(2)10-16(12-18(4)5)17-14(3)15-8-7-9-19(6)11-15/h13-17H,7-12H2,1-6H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine is sourced from PubChem (CID 43751567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).