1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine

C15H32N2 — CID 55072495

IUPAC1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
SMILESCC(C)CC(C)N(C)C(C)CCCNC1CC1
InChIInChI=1S/C15H32N2/c1-12(2)11-14(4)17(5)13(3)7-6-10-16-15-8-9-15/h12-16H,6-11H2,1-5H3
InChIKeyYXNDVMJHCHDSBI-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.27
Rot. Bonds9

About 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine

1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine (PubChem CID 55072495) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
PubChem CID55072495
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
SMILESCC(C)CC(C)N(C)C(C)CCCNC1CC1
InChIInChI=1S/C15H32N2/c1-12(2)11-14(4)17(5)13(3)7-6-10-16-15-8-9-15/h12-16H,6-11H2,1-5H3
InChIKeyYXNDVMJHCHDSBI-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62416971
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(4-methylhexyl)cyclopropanamine
CID 62529631
1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436358
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422981
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine
CID 63163241
2-(cyclopropylamino)-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentan-1-ol
CID 64826988

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine (CID 55072495) is 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine is CC(C)CC(C)N(C)C(C)CCCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine?
The InChIKey is YXNDVMJHCHDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)11-14(4)17(5)13(3)7-6-10-16-15-8-9-15/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine?
1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 55072495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).