N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine

C17H33NO — CID 81025790

IUPACN-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1CCC1CCCO1
InChIInChI=1S/C17H33NO/c1-2-12-18-14-16-8-5-3-4-7-15(16)10-11-17-9-6-13-19-17/h15-18H,2-14H2,1H3
InChIKeyBTHMFMZAZGNICT-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds7

About N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine

N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 81025790) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
PubChem CID81025790
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1CCC1CCCO1
InChIInChI=1S/C17H33NO/c1-2-12-18-14-16-8-5-3-4-7-15(16)10-11-17-9-6-13-19-17/h15-18H,2-14H2,1H3
InChIKeyBTHMFMZAZGNICT-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 81030494
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine (CID 81025790) is N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine is CCCNCC1CCCCCC1CCC1CCCO1.
What is the InChIKey of N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is BTHMFMZAZGNICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-12-18-14-16-8-5-3-4-7-15(16)10-11-17-9-6-13-19-17/h15-18H,2-14H2,1H3.
What are the key properties of N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81025790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).