3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol

C14H29NO — CID 71071610

IUPAC3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol
SMILESCCCC1CCCCCC1N(C)CCCO
InChIInChI=1S/C14H29NO/c1-3-8-13-9-5-4-6-10-14(13)15(2)11-7-12-16/h13-14,16H,3-12H2,1-2H3
InChIKeyQXXOVQINYPJNJY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds6

About 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol

3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol (PubChem CID 71071610) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol
PubChem CID71071610
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol
SMILESCCCC1CCCCCC1N(C)CCCO
InChIInChI=1S/C14H29NO/c1-3-8-13-9-5-4-6-10-14(13)15(2)11-7-12-16/h13-14,16H,3-12H2,1-2H3
InChIKeyQXXOVQINYPJNJY-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol
CID 71071638
3-[methyl-(2-propylcyclopropyl)amino]propan-1-ol
CID 89249354
5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol
CID 107198523
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 102294439
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
1-[methyl-(2-propylcyclopentyl)amino]propan-1-ol
CID 89249353
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol
CID 54993757
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol?
The IUPAC name of 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol (CID 71071610) is 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol?
The canonical SMILES for 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol is CCCC1CCCCCC1N(C)CCCO.
What is the InChIKey of 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol?
The InChIKey is QXXOVQINYPJNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-8-13-9-5-4-6-10-14(13)15(2)11-7-12-16/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol?
3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol is sourced from PubChem (CID 71071610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).