N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine

C14H30N2 — CID 66321917

IUPACN'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine
SMILESCC(C)CNCC(C)CCCCNC1CC1
InChIInChI=1S/C14H30N2/c1-12(2)10-15-11-13(3)6-4-5-9-16-14-7-8-14/h12-16H,4-11H2,1-3H3
InChIKeyUZAXWOYDMQVINT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds10

About N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine

N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine (PubChem CID 66321917) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine
PubChem CID66321917
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine
SMILESCC(C)CNCC(C)CCCCNC1CC1
InChIInChI=1S/C14H30N2/c1-12(2)10-15-11-13(3)6-4-5-9-16-14-7-8-14/h12-16H,4-11H2,1-3H3
InChIKeyUZAXWOYDMQVINT-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine?
The IUPAC name of N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine (CID 66321917) is N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine.
What is the SMILES notation for N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine?
The canonical SMILES for N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine is CC(C)CNCC(C)CCCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine?
The InChIKey is UZAXWOYDMQVINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)10-15-11-13(3)6-4-5-9-16-14-7-8-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine?
N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine is sourced from PubChem (CID 66321917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).