N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine

C14H29NO — CID 62107099

IUPACN-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine
SMILESCCOC1(CNC(C)(C)C)CCCCCC1
InChIInChI=1S/C14H29NO/c1-5-16-14(12-15-13(2,3)4)10-8-6-7-9-11-14/h15H,5-12H2,1-4H3
InChIKeyLRKSWBFPHCQNFZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.50
Rot. Bonds4

About N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine

N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine (PubChem CID 62107099) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine
PubChem CID62107099
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine
SMILESCCOC1(CNC(C)(C)C)CCCCCC1
InChIInChI=1S/C14H29NO/c1-5-16-14(12-15-13(2,3)4)10-8-6-7-9-11-14/h15H,5-12H2,1-4H3
InChIKeyLRKSWBFPHCQNFZ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
CID 62109244
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]ethanamine
CID 62109245
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine
CID 62109404
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 62109405
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine
CID 66274644
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine
CID 66274645
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine
CID 66274646
2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
CID 66275514
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
CID 66276385
N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine
CID 66277667

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine (CID 62107099) is N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine is CCOC1(CNC(C)(C)C)CCCCCC1.
What is the InChIKey of N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine?
The InChIKey is LRKSWBFPHCQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-16-14(12-15-13(2,3)4)10-8-6-7-9-11-14/h15H,5-12H2,1-4H3.
What are the key properties of N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine?
N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycycloheptyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62107099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).