1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide

C12H23N3O — CID 80588338

IUPAC1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1(CN)CC1
InChIInChI=1S/C12H23N3O/c1-10(8-15-6-2-3-7-15)14-11(16)12(9-13)4-5-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyMBGUJEHNSQNPES-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.33
Rot. Bonds5

About 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80588338) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide
PubChem CID80588338
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1(CN)CC1
InChIInChI=1S/C12H23N3O/c1-10(8-15-6-2-3-7-15)14-11(16)12(9-13)4-5-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyMBGUJEHNSQNPES-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
1-(aminomethyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 115447896
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78865674
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
4-methoxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119851493
2-(1-hydroxycyclopentyl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 111430549
2-amino-N-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]acetamide
CID 60848128

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide (CID 80588338) is 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide is CC(CN1CCCC1)NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is MBGUJEHNSQNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(8-15-6-2-3-7-15)14-11(16)12(9-13)4-5-12/h10H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80588338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).