1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea

C17H32N4O — CID 71932185

IUPAC1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea
SMILESCC(C)N(CCNC(=O)NC1CCN(CC2CC2)C1)C1CC1
InChIInChI=1S/C17H32N4O/c1-13(2)21(16-5-6-16)10-8-18-17(22)19-15-7-9-20(12-15)11-14-3-4-14/h13-16H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyAWILUHJHQRMILE-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.64
Rot. Bonds8

About 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea

1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea (PubChem CID 71932185) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea
PubChem CID71932185
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea
SMILESCC(C)N(CCNC(=O)NC1CCN(CC2CC2)C1)C1CC1
InChIInChI=1S/C17H32N4O/c1-13(2)21(16-5-6-16)10-8-18-17(22)19-15-7-9-20(12-15)11-14-3-4-14/h13-16H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyAWILUHJHQRMILE-UHFFFAOYSA-N
XLogP1.64
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 75374803
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
CID 111337403
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762000
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111919841
(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
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 97062806
3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 75388697
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea
CID 75494433
1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
CID 95616964

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea?
The IUPAC name of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea (CID 71932185) is 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea?
The canonical SMILES for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea is CC(C)N(CCNC(=O)NC1CCN(CC2CC2)C1)C1CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea?
The InChIKey is AWILUHJHQRMILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-13(2)21(16-5-6-16)10-8-18-17(22)19-15-7-9-20(12-15)11-14-3-4-14/h13-16H,3-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea?
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea has a molecular weight of 308.47 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea is sourced from PubChem (CID 71932185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).