3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide

C9H21N3O — CID 107441377

IUPAC3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
SMILESCC(C)C(CN)CNCCC(N)=O
InChIInChI=1S/C9H21N3O/c1-7(2)8(5-10)6-12-4-3-9(11)13/h7-8,12H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyQFQXYPRZMBOHRZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.32
Rot. Bonds7

About 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide

3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide (PubChem CID 107441377) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
PubChem CID107441377
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
SMILESCC(C)C(CN)CNCCC(N)=O
InChIInChI=1S/C9H21N3O/c1-7(2)8(5-10)6-12-4-3-9(11)13/h7-8,12H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyQFQXYPRZMBOHRZ-UHFFFAOYSA-N
XLogP-0.32
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.32
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

3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
CID 107441337
3-(aminomethylamino)propanamide
CID 123274483
N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
CID 107442722
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
3-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenoxy]propanamide
CID 107441432
ethane;3-(ethylamino)propanamide
CID 156743022
3-(propan-2-ylamino)propanamide
CID 18768059
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 107441168
2-propan-2-yl-N'-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 106427205

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide?
The IUPAC name of 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide (CID 107441377) is 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide?
The canonical SMILES for 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide is CC(C)C(CN)CNCCC(N)=O.
What is the InChIKey of 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide?
The InChIKey is QFQXYPRZMBOHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)8(5-10)6-12-4-3-9(11)13/h7-8,12H,3-6,10H2,1-2H3,(H2,11,13).
What are the key properties of 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide?
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide has a molecular weight of 187.29 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide is sourced from PubChem (CID 107441377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).