N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine

C15H31NO — CID 62106260

IUPACN-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
SMILESCCC(C)OC1(CNC(C)C)CCCCCC1
InChIInChI=1S/C15H31NO/c1-5-14(4)17-15(12-16-13(2)3)10-8-6-7-9-11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyPALZLGDPPSXZOT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds6

About N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine

N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine (PubChem CID 62106260) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
PubChem CID62106260
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
SMILESCCC(C)OC1(CNC(C)C)CCCCCC1
InChIInChI=1S/C15H31NO/c1-5-14(4)17-15(12-16-13(2)3)10-8-6-7-9-11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyPALZLGDPPSXZOT-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 63473886
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
(1-butan-2-yloxycycloheptyl)methanamine
CID 62108575
(1-butan-2-yloxycyclohexyl)methanamine
CID 62108209
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine
CID 62107364
N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 82006256
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
CID 62106094
N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine
CID 63475010

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine (CID 62106260) is N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine is CCC(C)OC1(CNC(C)C)CCCCCC1.
What is the InChIKey of N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine?
The InChIKey is PALZLGDPPSXZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-14(4)17-15(12-16-13(2)3)10-8-6-7-9-11-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine?
N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine is sourced from PubChem (CID 62106260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).