3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine

C16H34N2 — CID 55247312

IUPAC3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine
SMILESCCCC(NCC)C(CC)N(C)CC1CCCC1
InChIInChI=1S/C16H34N2/c1-5-10-15(17-7-3)16(6-2)18(4)13-14-11-8-9-12-14/h14-17H,5-13H2,1-4H3
InChIKeyMJEHDUVWMVFFLN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine

3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine (PubChem CID 55247312) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine
PubChem CID55247312
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine
SMILESCCCC(NCC)C(CC)N(C)CC1CCCC1
InChIInChI=1S/C16H34N2/c1-5-10-15(17-7-3)16(6-2)18(4)13-14-11-8-9-12-14/h14-17H,5-13H2,1-4H3
InChIKeyMJEHDUVWMVFFLN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine?
The IUPAC name of 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine (CID 55247312) is 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine.
What is the SMILES notation for 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine?
The canonical SMILES for 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine is CCCC(NCC)C(CC)N(C)CC1CCCC1.
What is the InChIKey of 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine?
The InChIKey is MJEHDUVWMVFFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-10-15(17-7-3)16(6-2)18(4)13-14-11-8-9-12-14/h14-17H,5-13H2,1-4H3.
What are the key properties of 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine?
3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopentylmethyl)-4-N-ethyl-3-N-methylheptane-3,4-diamine is sourced from PubChem (CID 55247312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).