N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine

C16H31NO — CID 62572050

IUPACN-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
SMILESCC1CCC(C(C)C)C(OCCNCC2CC2)C1
InChIInChI=1S/C16H31NO/c1-12(2)15-7-4-13(3)10-16(15)18-9-8-17-11-14-5-6-14/h12-17H,4-11H2,1-3H3
InChIKeySCBFHQPAWAAAAJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.46
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine

N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine (PubChem CID 62572050) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
PubChem CID62572050
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
SMILESCC1CCC(C(C)C)C(OCCNCC2CC2)C1
InChIInChI=1S/C16H31NO/c1-12(2)15-7-4-13(3)10-16(15)18-9-8-17-11-14-5-6-14/h12-17H,4-11H2,1-3H3
InChIKeySCBFHQPAWAAAAJ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

4-methyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-1-amine
CID 63505523
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
CID 55088055
N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-2-amine
CID 55194368
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine (CID 62572050) is N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine is CC1CCC(C(C)C)C(OCCNCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The InChIKey is SCBFHQPAWAAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)15-7-4-13(3)10-16(15)18-9-8-17-11-14-5-6-14/h12-17H,4-11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine is sourced from PubChem (CID 62572050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).