3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol

C14H30N2O — CID 54993757

IUPAC3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)C1CCCCCC1CN
InChIInChI=1S/C14H30N2O/c1-12(2)16(9-6-10-17)14-8-5-3-4-7-13(14)11-15/h12-14,17H,3-11,15H2,1-2H3
InChIKeyYCZXUILTYDVNLO-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds6

About 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol

3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol (PubChem CID 54993757) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol
PubChem CID54993757
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)C1CCCCCC1CN
InChIInChI=1S/C14H30N2O/c1-12(2)16(9-6-10-17)14-8-5-3-4-7-13(14)11-15/h12-14,17H,3-11,15H2,1-2H3
InChIKeyYCZXUILTYDVNLO-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide
CID 54988934
2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol
CID 54993620
2-[3-hydroxypropyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
CID 54993204
trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734568
5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol
CID 107198523
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
2-[[2-(aminomethyl)cycloheptyl]-cyclopentylamino]ethanol
CID 54993333
2-(aminomethyl)-N-methyl-N-propan-2-ylcyclopentan-1-amine
CID 43293401
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol
CID 71071638
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol (CID 54993757) is 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)C1CCCCCC1CN.
What is the InChIKey of 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol?
The InChIKey is YCZXUILTYDVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)16(9-6-10-17)14-8-5-3-4-7-13(14)11-15/h12-14,17H,3-11,15H2,1-2H3.
What are the key properties of 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol?
3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 54993757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).