1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol

C15H29NO — CID 114113614

IUPAC1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
SMILESCC(C)C1(CNCC2(O)CCCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-13(2)14(9-10-14)11-16-12-15(17)7-5-3-4-6-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyFKNIODSDZKDJHW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds5

About 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol

1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 114113614) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
PubChem CID114113614
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
SMILESCC(C)C1(CNCC2(O)CCCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-13(2)14(9-10-14)11-16-12-15(17)7-5-3-4-6-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyFKNIODSDZKDJHW-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 80721571
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354
1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
CID 65105370
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol (CID 114113614) is 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol is CC(C)C1(CNCC2(O)CCCCCC2)CC1.
What is the InChIKey of 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is FKNIODSDZKDJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)14(9-10-14)11-16-12-15(17)7-5-3-4-6-8-15/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol?
1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 114113614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).