2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine

C16H34N2 — CID 78974063

IUPAC2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(C)(CN)CCC(C)C
InChIInChI=1S/C16H34N2/c1-13(2)8-10-16(5,12-17)18(15-6-7-15)11-9-14(3)4/h13-15H,6-12,17H2,1-5H3
InChIKeyNNRLXRDTIMLRSV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds9

About 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine

2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine (PubChem CID 78974063) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
PubChem CID78974063
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(C)(CN)CCC(C)C
InChIInChI=1S/C16H34N2/c1-13(2)8-10-16(5,12-17)18(15-6-7-15)11-9-14(3)4/h13-15H,6-12,17H2,1-5H3
InChIKeyNNRLXRDTIMLRSV-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine (CID 78974063) is 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine is CC(C)CCN(C1CC1)C(C)(CN)CCC(C)C.
What is the InChIKey of 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine?
The InChIKey is NNRLXRDTIMLRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)8-10-16(5,12-17)18(15-6-7-15)11-9-14(3)4/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine?
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine is sourced from PubChem (CID 78974063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).