N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine

C10H25N3 — CID 144887012

IUPACN-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNCCC(C)(C)N
InChIInChI=1S/C10H25N3/c1-9(4-6-11)8-13-7-5-10(2,3)12/h9,13H,4-8,11-12H2,1-3H3
InChIKeyLVJCBYRQVQLFLE-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.69
Rot. Bonds7

About N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine

N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine (PubChem CID 144887012) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
PubChem CID144887012
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC NameN-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNCCC(C)(C)N
InChIInChI=1S/C10H25N3/c1-9(4-6-11)8-13-7-5-10(2,3)12/h9,13H,4-8,11-12H2,1-3H3
InChIKeyLVJCBYRQVQLFLE-UHFFFAOYSA-N
XLogP0.69
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
CID 66092499
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine (CID 144887012) is N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine is CC(CCN)CNCCC(C)(C)N.
What is the InChIKey of N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine?
The InChIKey is LVJCBYRQVQLFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-9(4-6-11)8-13-7-5-10(2,3)12/h9,13H,4-8,11-12H2,1-3H3.
What are the key properties of N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine?
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 144887012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).