5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol

C14H30N2O — CID 107198523

IUPAC5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C1CCCCCC1CN
InChIInChI=1S/C14H30N2O/c1-16(10-6-3-7-11-17)14-9-5-2-4-8-13(14)12-15/h13-14,17H,2-12,15H2,1H3
InChIKeyCZCWLSDMUGJVKP-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds7

About 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol

5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol (PubChem CID 107198523) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol
PubChem CID107198523
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C1CCCCCC1CN
InChIInChI=1S/C14H30N2O/c1-16(10-6-3-7-11-17)14-9-5-2-4-8-13(14)12-15/h13-14,17H,2-12,15H2,1H3
InChIKeyCZCWLSDMUGJVKP-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
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

2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol
CID 71071638
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol
CID 71071610
3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol
CID 54993757
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
2-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115514927
2-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclohexan-1-amine
CID 61444642
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate
CID 63382843
2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine
CID 104809042
2-(aminomethyl)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112590913

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol (CID 107198523) is 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol is CN(CCCCCO)C1CCCCCC1CN.
What is the InChIKey of 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol?
The InChIKey is CZCWLSDMUGJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-16(10-6-3-7-11-17)14-9-5-2-4-8-13(14)12-15/h13-14,17H,2-12,15H2,1H3.
What are the key properties of 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol?
5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107198523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).