1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide

C15H27N3O2 — CID 79394609

IUPAC1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCCC(=O)NC2CC2)CCCCCC1
InChIInChI=1S/C15H27N3O2/c16-11-15(8-3-1-2-4-9-15)14(20)17-10-7-13(19)18-12-5-6-12/h12H,1-11,16H2,(H,17,20)(H,18,19)
InChIKeyGGNIMUUEEATSPO-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.07
Rot. Bonds6

About 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide

1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide (PubChem CID 79394609) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
PubChem CID79394609
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCCC(=O)NC2CC2)CCCCCC1
InChIInChI=1S/C15H27N3O2/c16-11-15(8-3-1-2-4-9-15)14(20)17-10-7-13(19)18-12-5-6-12/h12H,1-11,16H2,(H,17,20)(H,18,19)
InChIKeyGGNIMUUEEATSPO-UHFFFAOYSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492
1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 80587363
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
CID 81168736
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
N-cyclopropyl-3-[(1-methylcyclohexyl)amino]propanamide
CID 62627933

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide (CID 79394609) is 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide is NCC1(C(=O)NCCC(=O)NC2CC2)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide?
The InChIKey is GGNIMUUEEATSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-11-15(8-3-1-2-4-9-15)14(20)17-10-7-13(19)18-12-5-6-12/h12H,1-11,16H2,(H,17,20)(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide?
1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 79394609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).