3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine

C16H34N2 — CID 55258814

IUPAC3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(C)CC1CC1C
InChIInChI=1S/C16H34N2/c1-6-9-15(17-10-7-2)16(8-3)18(5)12-14-11-13(14)4/h13-17H,6-12H2,1-5H3
InChIKeyNIQMBJNZFJCKDT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds10

About 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine

3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine (PubChem CID 55258814) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine
PubChem CID55258814
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(C)CC1CC1C
InChIInChI=1S/C16H34N2/c1-6-9-15(17-10-7-2)16(8-3)18(5)12-14-11-13(14)4/h13-17H,6-12H2,1-5H3
InChIKeyNIQMBJNZFJCKDT-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine (CID 55258814) is 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine is CCCNC(CCC)C(CC)N(C)CC1CC1C.
What is the InChIKey of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine?
The InChIKey is NIQMBJNZFJCKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-9-15(17-10-7-2)16(8-3)18(5)12-14-11-13(14)4/h13-17H,6-12H2,1-5H3.
What are the key properties of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine?
3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine is sourced from PubChem (CID 55258814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).