3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine

C6H16N2O2 — CID 139889741

IUPAC3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine
SMILESCC(C)C(CCN)N(O)O
InChIInChI=1S/C6H16N2O2/c1-5(2)6(3-4-7)8(9)10/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyBYQGXOMJDPSAST-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.44
Rot. Bonds4

About 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine

3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine (PubChem CID 139889741) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine
PubChem CID139889741
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine
SMILESCC(C)C(CCN)N(O)O
InChIInChI=1S/C6H16N2O2/c1-5(2)6(3-4-7)8(9)10/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyBYQGXOMJDPSAST-UHFFFAOYSA-N
XLogP0.44
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
CID 129044459
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
2-propan-2-ylbutane-1,4-diamine
CID 55281823
(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
CID 174320236
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
4-aminobutan-2-ylboronic acid
CID 14026844
N-(2-aminoethyl)-N-propan-2-ylhydroxylamine
CID 87369544
(2S)-2-methylbutane-1,4-diamine
CID 51382069
(Z)-4-methyl-3-propan-2-ylhex-4-ene-1,5-diamine
CID 130414542
4-amino-2-methylbutanoic acid
CID 3759025
dihydroxy(oxo)phosphanium;3-methylbutan-1-amine
CID 22056543
3-ethyl-4-methylhexan-1-amine
CID 123538643

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine?
The IUPAC name of 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine (CID 139889741) is 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine?
The canonical SMILES for 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine is CC(C)C(CCN)N(O)O.
What is the InChIKey of 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine?
The InChIKey is BYQGXOMJDPSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-5(2)6(3-4-7)8(9)10/h5-6,9-10H,3-4,7H2,1-2H3.
What are the key properties of 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine?
3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine has a molecular weight of 148.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine is sourced from PubChem (CID 139889741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).