1,3-bis(4-aminopentan-2-yl)urea

C11H26N4O — CID 20820352

IUPAC1,3-bis(4-aminopentan-2-yl)urea
SMILESCC(N)CC(C)NC(=O)NC(C)CC(C)N
InChIInChI=1S/C11H26N4O/c1-7(12)5-9(3)14-11(16)15-10(4)6-8(2)13/h7-10H,5-6,12-13H2,1-4H3,(H2,14,15,16)
InChIKeyFLADQUWXWYHJGY-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.54
Rot. Bonds6

About 1,3-bis(4-aminopentan-2-yl)urea

1,3-bis(4-aminopentan-2-yl)urea (PubChem CID 20820352) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 1,3-bis(4-aminopentan-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(4-aminopentan-2-yl)urea
PubChem CID20820352
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name1,3-bis(4-aminopentan-2-yl)urea
SMILESCC(N)CC(C)NC(=O)NC(C)CC(C)N
InChIInChI=1S/C11H26N4O/c1-7(12)5-9(3)14-11(16)15-10(4)6-8(2)13/h7-10H,5-6,12-13H2,1-4H3,(H2,14,15,16)
InChIKeyFLADQUWXWYHJGY-UHFFFAOYSA-N
XLogP0.54
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide
CID 104522544
1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113376862
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
(6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium
CID 91306148
2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide
CID 43372510
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 61198782
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184708
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
4-amino-2-methylpentanoic acid
CID 22105024

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-aminopentan-2-yl)urea?
The IUPAC name of 1,3-bis(4-aminopentan-2-yl)urea (CID 20820352) is 1,3-bis(4-aminopentan-2-yl)urea.
What is the SMILES notation for 1,3-bis(4-aminopentan-2-yl)urea?
The canonical SMILES for 1,3-bis(4-aminopentan-2-yl)urea is CC(N)CC(C)NC(=O)NC(C)CC(C)N.
What is the InChIKey of 1,3-bis(4-aminopentan-2-yl)urea?
The InChIKey is FLADQUWXWYHJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-7(12)5-9(3)14-11(16)15-10(4)6-8(2)13/h7-10H,5-6,12-13H2,1-4H3,(H2,14,15,16).
What are the key properties of 1,3-bis(4-aminopentan-2-yl)urea?
1,3-bis(4-aminopentan-2-yl)urea has a molecular weight of 230.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-aminopentan-2-yl)urea is sourced from PubChem (CID 20820352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).