4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine

C14H32N2 — CID 62419355

IUPAC4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCCC(C)N(C)C(C)CCCNCC(C)C
InChIInChI=1S/C14H32N2/c1-7-13(4)16(6)14(5)9-8-10-15-11-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyZHEOZQKXHFNGEC-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds9

About 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine

4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine (PubChem CID 62419355) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
PubChem CID62419355
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCCC(C)N(C)C(C)CCCNCC(C)C
InChIInChI=1S/C14H32N2/c1-7-13(4)16(6)14(5)9-8-10-15-11-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyZHEOZQKXHFNGEC-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
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-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078
3-N-methyl-1-N-(2-methylpropyl)-3-N-(1-methylsulfanylpropan-2-yl)butane-1,3-diamine
CID 112665972
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 62426193
3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62433937
1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423009
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83043429
4-iodo-N-(2-methylpropyl)pentan-1-amine
CID 155459836
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
4-N-methyl-1-N-(2-methylpropyl)-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422983
4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
CID 62412162

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine (CID 62419355) is 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine is CCC(C)N(C)C(C)CCCNCC(C)C.
What is the InChIKey of 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
The InChIKey is ZHEOZQKXHFNGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-13(4)16(6)14(5)9-8-10-15-11-12(2)3/h12-15H,7-11H2,1-6H3.
What are the key properties of 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine is sourced from PubChem (CID 62419355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).