2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine

C16H35N3 — CID 63947360

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-7-10-16(6-2,14-17)19-11-8-15(9-12-19)13-18(3)4/h15H,5-14,17H2,1-4H3
InChIKeyKJGLVKVNJFMKGC-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds8

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine (PubChem CID 63947360) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine
PubChem CID63947360
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-7-10-16(6-2,14-17)19-11-8-15(9-12-19)13-18(3)4/h15H,5-14,17H2,1-4H3
InChIKeyKJGLVKVNJFMKGC-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 63973829
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
CID 63947157
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-amine
CID 63945538
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
CID 63232902
N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
CID 142282726
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-propylpentan-1-amine
CID 61440678
2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009371
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine
CID 54985868
2-propyl-2-pyrrolidin-1-ylpentan-1-amine
CID 24709815
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
CID 62885069

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine (CID 63947360) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine is CCCCC(CC)(CN)N1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine?
The InChIKey is KJGLVKVNJFMKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-7-10-16(6-2,14-17)19-11-8-15(9-12-19)13-18(3)4/h15H,5-14,17H2,1-4H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-ethylhexan-1-amine is sourced from PubChem (CID 63947360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).