3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine

C17H35N — CID 126517551

IUPAC3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine
SMILESCCCC(CNC(C)C(C)C(C)CC)C1CC1C
InChIInChI=1S/C17H35N/c1-7-9-16(17-10-13(17)4)11-18-15(6)14(5)12(3)8-2/h12-18H,7-11H2,1-6H3
InChIKeyNUXCPRYELPTQJJ-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.72
Rot. Bonds9

About 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine

3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine (PubChem CID 126517551) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine
PubChem CID126517551
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine
SMILESCCCC(CNC(C)C(C)C(C)CC)C1CC1C
InChIInChI=1S/C17H35N/c1-7-9-16(17-10-13(17)4)11-18-15(6)14(5)12(3)8-2/h12-18H,7-11H2,1-6H3
InChIKeyNUXCPRYELPTQJJ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine?
The IUPAC name of 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine (CID 126517551) is 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine is CCCC(CNC(C)C(C)C(C)CC)C1CC1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine?
The InChIKey is NUXCPRYELPTQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-9-16(17-10-13(17)4)11-18-15(6)14(5)12(3)8-2/h12-18H,7-11H2,1-6H3.
What are the key properties of 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine?
3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine is sourced from PubChem (CID 126517551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).