N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide

C10H22N4O — CID 62363808

IUPACN,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
SMILESCC(C)C/N=C(\N)NC(C)C(=O)N(C)C
InChIInChI=1S/C10H22N4O/c1-7(2)6-12-10(11)13-8(3)9(15)14(4)5/h7-8H,6H2,1-5H3,(H3,11,12,13)
InChIKeyCIKWHENOXRDNOQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.02
Rot. Bonds4

About N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide

N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide (PubChem CID 62363808) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
PubChem CID62363808
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
SMILESCC(C)C/N=C(\N)NC(C)C(=O)N(C)C
InChIInChI=1S/C10H22N4O/c1-7(2)6-12-10(11)13-8(3)9(15)14(4)5/h7-8H,6H2,1-5H3,(H3,11,12,13)
InChIKeyCIKWHENOXRDNOQ-UHFFFAOYSA-N
XLogP0.02
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methylhexan-2-yl)-2-(2-methylpropyl)guanidine
CID 63925910
N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
CID 103111146
2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide
CID 103114219
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
2-(2-methylpropyl)-1-(1-methylsulfonylpropan-2-yl)guanidine
CID 64642651
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 82012313
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
CID 43578901

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide (CID 62363808) is N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide is CC(C)C/N=C(\N)NC(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide?
The InChIKey is CIKWHENOXRDNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-7(2)6-12-10(11)13-8(3)9(15)14(4)5/h7-8H,6H2,1-5H3,(H3,11,12,13).
What are the key properties of N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide?
N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 62363808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).