(1-aminocyclohexyl)methylurea

C8H17N3O — CID 61298669

IUPAC(1-aminocyclohexyl)methylurea
SMILESNC(=O)NCC1(N)CCCCC1
InChIInChI=1S/C8H17N3O/c9-7(12)11-6-8(10)4-2-1-3-5-8/h1-6,10H2,(H3,9,11,12)
InChIKeyYEJLOXUMXNHBTQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.32
Rot. Bonds2

About (1-aminocyclohexyl)methylurea

(1-aminocyclohexyl)methylurea (PubChem CID 61298669) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-aminocyclohexyl)methylurea.

Molecular Properties

Compound Name(1-aminocyclohexyl)methylurea
PubChem CID61298669
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(1-aminocyclohexyl)methylurea
SMILESNC(=O)NCC1(N)CCCCC1
InChIInChI=1S/C8H17N3O/c9-7(12)11-6-8(10)4-2-1-3-5-8/h1-6,10H2,(H3,9,11,12)
InChIKeyYEJLOXUMXNHBTQ-UHFFFAOYSA-N
XLogP0.32
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189
[1-(2-amino-2-hydroxyethyl)cyclohexadecyl]methylurea
CID 154934116
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyacetamide
CID 119404527
N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide
CID 119404176
(1-aminocyclopentyl)methylcarbamodithioic acid
CID 90481706

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)methylurea?
The IUPAC name of (1-aminocyclohexyl)methylurea (CID 61298669) is (1-aminocyclohexyl)methylurea.
What is the SMILES notation for (1-aminocyclohexyl)methylurea?
The canonical SMILES for (1-aminocyclohexyl)methylurea is NC(=O)NCC1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)methylurea?
The InChIKey is YEJLOXUMXNHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-7(12)11-6-8(10)4-2-1-3-5-8/h1-6,10H2,(H3,9,11,12).
What are the key properties of (1-aminocyclohexyl)methylurea?
(1-aminocyclohexyl)methylurea has a molecular weight of 171.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)methylurea is sourced from PubChem (CID 61298669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).