2-[(1-methylazepan-4-yl)amino]ethylurea

C10H22N4O — CID 83111293

IUPAC2-[(1-methylazepan-4-yl)amino]ethylurea
SMILESCN1CCCC(NCCNC(N)=O)CC1
InChIInChI=1S/C10H22N4O/c1-14-7-2-3-9(4-8-14)12-5-6-13-10(11)15/h9,12H,2-8H2,1H3,(H3,11,13,15)
InChIKeyJAWQSFPJPNULRC-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.27
Rot. Bonds4

About 2-[(1-methylazepan-4-yl)amino]ethylurea

2-[(1-methylazepan-4-yl)amino]ethylurea (PubChem CID 83111293) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1-methylazepan-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(1-methylazepan-4-yl)amino]ethylurea
PubChem CID83111293
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[(1-methylazepan-4-yl)amino]ethylurea
SMILESCN1CCCC(NCCNC(N)=O)CC1
InChIInChI=1S/C10H22N4O/c1-14-7-2-3-9(4-8-14)12-5-6-13-10(11)15/h9,12H,2-8H2,1H3,(H3,11,13,15)
InChIKeyJAWQSFPJPNULRC-UHFFFAOYSA-N
XLogP-0.27
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373494
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
2-(piperidin-4-ylamino)ethylurea
CID 83109296
2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793
methyl 4-[2-(carbamoylamino)ethylamino]cyclohexane-1-carboxylate
CID 112753620
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylazepan-4-yl)amino]ethylurea?
The IUPAC name of 2-[(1-methylazepan-4-yl)amino]ethylurea (CID 83111293) is 2-[(1-methylazepan-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(1-methylazepan-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(1-methylazepan-4-yl)amino]ethylurea is CN1CCCC(NCCNC(N)=O)CC1.
What is the InChIKey of 2-[(1-methylazepan-4-yl)amino]ethylurea?
The InChIKey is JAWQSFPJPNULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-14-7-2-3-9(4-8-14)12-5-6-13-10(11)15/h9,12H,2-8H2,1H3,(H3,11,13,15).
What are the key properties of 2-[(1-methylazepan-4-yl)amino]ethylurea?
2-[(1-methylazepan-4-yl)amino]ethylurea has a molecular weight of 214.31 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylazepan-4-yl)amino]ethylurea is sourced from PubChem (CID 83111293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).