4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

C14H30N2 — CID 62856942

IUPAC4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)NCCCC(C)N(C)CC1CCC1
InChIInChI=1S/C14H30N2/c1-12(2)15-10-6-7-13(3)16(4)11-14-8-5-9-14/h12-15H,5-11H2,1-4H3
InChIKeyRKLHXVAEHYQGKQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds8

About 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 62856942) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID62856942
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)NCCCC(C)N(C)CC1CCC1
InChIInChI=1S/C14H30N2/c1-12(2)15-10-6-7-13(3)16(4)11-14-8-5-9-14/h12-15H,5-11H2,1-4H3
InChIKeyRKLHXVAEHYQGKQ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
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

4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 81067945
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409276
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (CID 62856942) is 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is CC(C)NCCCC(C)N(C)CC1CCC1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is RKLHXVAEHYQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)15-10-6-7-13(3)16(4)11-14-8-5-9-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 62856942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).