1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea

C8H21N7O2 — CID 174815065

IUPAC1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea
SMILESNC(=O)N(N)CCCNCCCN(N)C(N)=O
InChIInChI=1S/C8H21N7O2/c9-7(16)14(11)5-1-3-13-4-2-6-15(12)8(10)17/h13H,1-6,11-12H2,(H2,9,16)(H2,10,17)
InChIKeyQGPDNGQIHJKPDZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP-2.13
Rot. Bonds8

About 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea

1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea (PubChem CID 174815065) has the molecular formula C8H21N7O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea.

Molecular Properties

Compound Name1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea
PubChem CID174815065
Molecular FormulaC8H21N7O2
Molecular Weight247.30 g/mol
Exact Mass247.18
IUPAC Name1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea
SMILESNC(=O)N(N)CCCNCCCN(N)C(N)=O
InChIInChI=1S/C8H21N7O2/c9-7(16)14(11)5-1-3-13-4-2-6-15(12)8(10)17/h13H,1-6,11-12H2,(H2,9,16)(H2,10,17)
InChIKeyQGPDNGQIHJKPDZ-UHFFFAOYSA-N
XLogP-2.13
TPSA156.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-[28-[amino(carbamoyl)amino]octacosyl]urea
CID 174875426
N-butylbutan-1-amine;1,1-diaminourea
CID 174864896
1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea
CID 174870360
1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea
CID 174619807
5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride
CID 174417262
5-[2-[di(propan-2-yl)amino]ethylamino]pentanamide
CID 114281581
1-amino-1-(hydrazinylmethyl)urea
CID 139339584
acetamide;N-butylbutan-1-amine
CID 172792447
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
3-(5-hydroxypentylamino)propanamide
CID 62227149
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea?
The IUPAC name of 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea (CID 174815065) is 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea.
What is the SMILES notation for 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea?
The canonical SMILES for 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea is NC(=O)N(N)CCCNCCCN(N)C(N)=O.
What is the InChIKey of 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea?
The InChIKey is QGPDNGQIHJKPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N7O2/c9-7(16)14(11)5-1-3-13-4-2-6-15(12)8(10)17/h13H,1-6,11-12H2,(H2,9,16)(H2,10,17).
What are the key properties of 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea?
1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea has a molecular weight of 247.30 g/mol, XLogP of -2.13, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea is sourced from PubChem (CID 174815065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).