(3,4-diaminobutylamino)methanol

C5H15N3O — CID 142772966

IUPAC(3,4-diaminobutylamino)methanol
SMILESNCC(N)CCNCO
InChIInChI=1S/C5H15N3O/c6-3-5(7)1-2-8-4-9/h5,8-9H,1-4,6-7H2
InChIKeyYZRVIPNGGJDFOY-UHFFFAOYSA-N
MW133.19 g/mol
LogP-1.80
Rot. Bonds5

About (3,4-diaminobutylamino)methanol

(3,4-diaminobutylamino)methanol (PubChem CID 142772966) has the molecular formula C5H15N3O and a molecular weight of 133.19 g/mol. Its IUPAC name is (3,4-diaminobutylamino)methanol.

Molecular Properties

Compound Name(3,4-diaminobutylamino)methanol
PubChem CID142772966
Molecular FormulaC5H15N3O
Molecular Weight133.19 g/mol
Exact Mass133.12
IUPAC Name(3,4-diaminobutylamino)methanol
SMILESNCC(N)CCNCO
InChIInChI=1S/C5H15N3O/c6-3-5(7)1-2-8-4-9/h5,8-9H,1-4,6-7H2
InChIKeyYZRVIPNGGJDFOY-UHFFFAOYSA-N
XLogP-1.80
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(3-hydroxypropylamino)pentan-1-ol
CID 87783733
(1S)-1,4,5-triaminopentan-1-ol
CID 88903954
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
[12-(hydroxymethylamino)dodecylamino]methanol
CID 20588216
2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide
CID 102285423
5,6-diaminohexanamide
CID 163484084
[(diaminomethylamino)methylamino]methanol
CID 89391902
2-(3,3-diaminopropylamino)acetic acid
CID 150012608
3-[(3,6-diamino-5-methylhexyl)amino]propanenitrile
CID 101282877
5-ethylheptane-1,2-diamine
CID 57197564
(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618

Frequently Asked Questions

What is the IUPAC name of (3,4-diaminobutylamino)methanol?
The IUPAC name of (3,4-diaminobutylamino)methanol (CID 142772966) is (3,4-diaminobutylamino)methanol.
What is the SMILES notation for (3,4-diaminobutylamino)methanol?
The canonical SMILES for (3,4-diaminobutylamino)methanol is NCC(N)CCNCO.
What is the InChIKey of (3,4-diaminobutylamino)methanol?
The InChIKey is YZRVIPNGGJDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O/c6-3-5(7)1-2-8-4-9/h5,8-9H,1-4,6-7H2.
What are the key properties of (3,4-diaminobutylamino)methanol?
(3,4-diaminobutylamino)methanol has a molecular weight of 133.19 g/mol, XLogP of -1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminobutylamino)methanol is sourced from PubChem (CID 142772966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).