1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

C18H34N4O — CID 75374803

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCC(C)N(CCNC(=O)NC1CC2CCCC(C1)N2C)C1CC1
InChIInChI=1S/C18H34N4O/c1-13(2)22(15-7-8-15)10-9-19-18(23)20-14-11-16-5-4-6-17(12-14)21(16)3/h13-17H,4-12H2,1-3H3,(H2,19,20,23)
InChIKeyGCSLSOAMFLZTQA-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.17
Rot. Bonds6

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (PubChem CID 75374803) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
PubChem CID75374803
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCC(C)N(CCNC(=O)NC1CC2CCCC(C1)N2C)C1CC1
InChIInChI=1S/C18H34N4O/c1-13(2)22(15-7-8-15)10-9-19-18(23)20-14-11-16-5-4-6-17(12-14)21(16)3/h13-17H,4-12H2,1-3H3,(H2,19,20,23)
InChIKeyGCSLSOAMFLZTQA-UHFFFAOYSA-N
XLogP2.17
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea with MolForge

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Related Compounds

1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea
CID 71932185
2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65472991
1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508663
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
CID 111337403
1-(1-hydroxypropan-2-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508639
N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide
CID 65471203
(2S)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65471471
(2R)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 79009025
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
(2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017596
(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017595
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (CID 75374803) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is CC(C)N(CCNC(=O)NC1CC2CCCC(C1)N2C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The InChIKey is GCSLSOAMFLZTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-13(2)22(15-7-8-15)10-9-19-18(23)20-14-11-16-5-4-6-17(12-14)21(16)3/h13-17H,4-12H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea has a molecular weight of 322.50 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is sourced from PubChem (CID 75374803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).