2,4-diamino-N-[3-(dimethylamino)butyl]butanamide

C10H24N4O — CID 91339588

IUPAC2,4-diamino-N-[3-(dimethylamino)butyl]butanamide
SMILESCC(CCNC(=O)C(N)CCN)N(C)C
InChIInChI=1S/C10H24N4O/c1-8(14(2)3)5-7-13-10(15)9(12)4-6-11/h8-9H,4-7,11-12H2,1-3H3,(H,13,15)
InChIKeyHWGIJCAWVFOKNK-UHFFFAOYSA-N
MW216.33 g/mol
LogP-0.88
Rot. Bonds7

About 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide

2,4-diamino-N-[3-(dimethylamino)butyl]butanamide (PubChem CID 91339588) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide.

Molecular Properties

Compound Name2,4-diamino-N-[3-(dimethylamino)butyl]butanamide
PubChem CID91339588
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name2,4-diamino-N-[3-(dimethylamino)butyl]butanamide
SMILESCC(CCNC(=O)C(N)CCN)N(C)C
InChIInChI=1S/C10H24N4O/c1-8(14(2)3)5-7-13-10(15)9(12)4-6-11/h8-9H,4-7,11-12H2,1-3H3,(H,13,15)
InChIKeyHWGIJCAWVFOKNK-UHFFFAOYSA-N
XLogP-0.88
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
CID 63225439
2-amino-N-propylpentanamide
CID 43649977
2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
CID 63225487
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171932253
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
(2S)-2-amino-N'-[(2S)-2-amino-3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-[2-(dimethylamino)ethyl]pentanediamide;tetrahydrochloride
CID 171378157

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide?
The IUPAC name of 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide (CID 91339588) is 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide.
What is the SMILES notation for 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide?
The canonical SMILES for 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide is CC(CCNC(=O)C(N)CCN)N(C)C.
What is the InChIKey of 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide?
The InChIKey is HWGIJCAWVFOKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-8(14(2)3)5-7-13-10(15)9(12)4-6-11/h8-9H,4-7,11-12H2,1-3H3,(H,13,15).
What are the key properties of 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide?
2,4-diamino-N-[3-(dimethylamino)butyl]butanamide has a molecular weight of 216.33 g/mol, XLogP of -0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[3-(dimethylamino)butyl]butanamide is sourced from PubChem (CID 91339588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).