1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide

C12H22N2O2 — CID 115452262

IUPAC1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCCOCC2CC2)CC1
InChIInChI=1S/C12H22N2O2/c13-9-12(4-5-12)11(15)14-6-1-7-16-8-10-2-3-10/h10H,1-9,13H2,(H,14,15)
InChIKeySPFOMHXIWJLKCD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.66
Rot. Bonds8

About 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide (PubChem CID 115452262) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
PubChem CID115452262
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCCOCC2CC2)CC1
InChIInChI=1S/C12H22N2O2/c13-9-12(4-5-12)11(15)14-6-1-7-16-8-10-2-3-10/h10H,1-9,13H2,(H,14,15)
InChIKeySPFOMHXIWJLKCD-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755575
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxane-4-carboxamide
CID 114097725
1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
CID 115453135
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667
1-(aminomethyl)-N-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332937
1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
CID 113312924
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677
1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119332945
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
1-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60940856

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide (CID 115452262) is 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide is NCC1(C(=O)NCCCOCC2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide?
The InChIKey is SPFOMHXIWJLKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-9-12(4-5-12)11(15)14-6-1-7-16-8-10-2-3-10/h10H,1-9,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).