3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine

C16H35N3 — CID 62655060

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCC1CCCCN1C)N(C)C
InChIInChI=1S/C16H35N3/c1-6-14(7-2)16(18(3)4)13-17-12-15-10-8-9-11-19(15)5/h14-17H,6-13H2,1-5H3
InChIKeyGIKLZOMWARZFLJ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

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

3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine (PubChem CID 62655060) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
PubChem CID62655060
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCC1CCCCN1C)N(C)C
InChIInChI=1S/C16H35N3/c1-6-14(7-2)16(18(3)4)13-17-12-15-10-8-9-11-19(15)5/h14-17H,6-13H2,1-5H3
InChIKeyGIKLZOMWARZFLJ-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106025171
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654671
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
3-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106120803
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine (CID 62655060) is 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine is CCC(CC)C(CNCC1CCCCN1C)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine?
The InChIKey is GIKLZOMWARZFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-14(7-2)16(18(3)4)13-17-12-15-10-8-9-11-19(15)5/h14-17H,6-13H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 62655060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).