N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine

C16H31NO — CID 62108400

IUPACN-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC2CC2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)17-13-16(18-12-14-8-9-14)10-6-4-5-7-11-16/h14,17H,4-13H2,1-3H3
InChIKeyPCPHCHNJMIVPHC-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds5

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

N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine (PubChem CID 62108400) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
PubChem CID62108400
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC2CC2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)17-13-16(18-12-14-8-9-14)10-6-4-5-7-11-16/h14,17H,4-13H2,1-3H3
InChIKeyPCPHCHNJMIVPHC-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63474782
2-methyl-N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62107941
1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
CID 114248811
1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
CID 66322900
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 62109568
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82832195
N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 66226002
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
[1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 62383521

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine (CID 62108400) is N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(OCC2CC2)CCCCCC1.
What is the InChIKey of N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PCPHCHNJMIVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)17-13-16(18-12-14-8-9-14)10-6-4-5-7-11-16/h14,17H,4-13H2,1-3H3.
What are the key properties of N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine?
N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).