(2-amino-4-methylpentoxy)urea

C7H17N3O2 — CID 118519628

IUPAC(2-amino-4-methylpentoxy)urea
SMILESCC(C)CC(N)CONC(N)=O
InChIInChI=1S/C7H17N3O2/c1-5(2)3-6(8)4-12-10-7(9)11/h5-6H,3-4,8H2,1-2H3,(H3,9,10,11)
InChIKeyLNSMKWFCVGFXCY-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.04
Rot. Bonds5

About (2-amino-4-methylpentoxy)urea

(2-amino-4-methylpentoxy)urea (PubChem CID 118519628) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2-amino-4-methylpentoxy)urea.

Molecular Properties

Compound Name(2-amino-4-methylpentoxy)urea
PubChem CID118519628
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name(2-amino-4-methylpentoxy)urea
SMILESCC(C)CC(N)CONC(N)=O
InChIInChI=1S/C7H17N3O2/c1-5(2)3-6(8)4-12-10-7(9)11/h5-6H,3-4,8H2,1-2H3,(H3,9,10,11)
InChIKeyLNSMKWFCVGFXCY-UHFFFAOYSA-N
XLogP-0.04
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-methylpentyl) hydrogen sulfate
CID 73425010
(2S)-4-methyl-1-propan-2-yloxypentan-2-amine
CID 28802452
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine
CID 58738316
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
(3S)-3-[[(2R)-2-amino-4-methylpentyl]amino]-5-methylhexan-2-one
CID 59336792
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
ethyl N-(2-amino-4-methylpentyl)carbamate
CID 107158934
3-methylbutyl N-carbamoylcarbamate
CID 3027873
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
N-[(1S)-1-amino-3-methylbutyl]acetamide
CID 58319717

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpentoxy)urea?
The IUPAC name of (2-amino-4-methylpentoxy)urea (CID 118519628) is (2-amino-4-methylpentoxy)urea.
What is the SMILES notation for (2-amino-4-methylpentoxy)urea?
The canonical SMILES for (2-amino-4-methylpentoxy)urea is CC(C)CC(N)CONC(N)=O.
What is the InChIKey of (2-amino-4-methylpentoxy)urea?
The InChIKey is LNSMKWFCVGFXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-5(2)3-6(8)4-12-10-7(9)11/h5-6H,3-4,8H2,1-2H3,(H3,9,10,11).
What are the key properties of (2-amino-4-methylpentoxy)urea?
(2-amino-4-methylpentoxy)urea has a molecular weight of 175.23 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylpentoxy)urea is sourced from PubChem (CID 118519628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).