1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea

C10H24N6O2 — CID 174839845

IUPAC1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea
SMILESCCC(CC(C)(CC)N(N)C(N)=O)N(N)C(N)=O
InChIInChI=1S/C10H24N6O2/c1-4-7(15(13)8(11)17)6-10(3,5-2)16(14)9(12)18/h7H,4-6,13-14H2,1-3H3,(H2,11,17)(H2,12,18)
InChIKeyBCMFVYHOPBVEHS-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.17
Rot. Bonds6

About 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea

1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea (PubChem CID 174839845) has the molecular formula C10H24N6O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea.

Molecular Properties

Compound Name1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea
PubChem CID174839845
Molecular FormulaC10H24N6O2
Molecular Weight260.34 g/mol
Exact Mass260.20
IUPAC Name1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea
SMILESCCC(CC(C)(CC)N(N)C(N)=O)N(N)C(N)=O
InChIInChI=1S/C10H24N6O2/c1-4-7(15(13)8(11)17)6-10(3,5-2)16(14)9(12)18/h7H,4-6,13-14H2,1-3H3,(H2,11,17)(H2,12,18)
InChIKeyBCMFVYHOPBVEHS-UHFFFAOYSA-N
XLogP-0.17
TPSA144.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea?
The IUPAC name of 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea (CID 174839845) is 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea.
What is the SMILES notation for 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea?
The canonical SMILES for 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea is CCC(CC(C)(CC)N(N)C(N)=O)N(N)C(N)=O.
What is the InChIKey of 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea?
The InChIKey is BCMFVYHOPBVEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N6O2/c1-4-7(15(13)8(11)17)6-10(3,5-2)16(14)9(12)18/h7H,4-6,13-14H2,1-3H3,(H2,11,17)(H2,12,18).
What are the key properties of 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea?
1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea has a molecular weight of 260.34 g/mol, XLogP of -0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea is sourced from PubChem (CID 174839845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).