N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine

C16H31NO — CID 62106956

IUPACN-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OC(C)C)CC1
InChIInChI=1S/C16H31NO/c1-4-5-14-8-10-16(11-9-14,18-13(2)3)12-17-15-6-7-15/h13-15,17H,4-12H2,1-3H3
InChIKeyALZXJNGUCIDNGC-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds7

About N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine

N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine (PubChem CID 62106956) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
PubChem CID62106956
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OC(C)C)CC1
InChIInChI=1S/C16H31NO/c1-4-5-14-8-10-16(11-9-14,18-13(2)3)12-17-15-6-7-15/h13-15,17H,4-12H2,1-3H3
InChIKeyALZXJNGUCIDNGC-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 55194013
N-[(1-ethoxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62107994
N-[(4-methyl-1-propan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 62106421
N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine
CID 103991695
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 102984869
N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 103490217
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62111094
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109071
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine (CID 62106956) is N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine is CCCC1CCC(CNC2CC2)(OC(C)C)CC1.
What is the InChIKey of N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is ALZXJNGUCIDNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-5-14-8-10-16(11-9-14,18-13(2)3)12-17-15-6-7-15/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 62106956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).