4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine

C18H37NO — CID 142383702

IUPAC4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC[C@H]([C@@H](C)CC)N(CC(C)C)C1CCC(OC)CC1
InChIInChI=1S/C18H37NO/c1-7-15(5)18(8-2)19(13-14(3)4)16-9-11-17(20-6)12-10-16/h14-18H,7-13H2,1-6H3/t15-,16?,17?,18+/m0/s1
InChIKeyKRWJKFLKQMFZGD-FCCDEINASA-N
MW283.50 g/mol
LogP4.73
Rot. Bonds8

About 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine

4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 142383702) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID142383702
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC[C@H]([C@@H](C)CC)N(CC(C)C)C1CCC(OC)CC1
InChIInChI=1S/C18H37NO/c1-7-15(5)18(8-2)19(13-14(3)4)16-9-11-17(20-6)12-10-16/h14-18H,7-13H2,1-6H3/t15-,16?,17?,18+/m0/s1
InChIKeyKRWJKFLKQMFZGD-FCCDEINASA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine (CID 142383702) is 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine is CC[C@H]([C@@H](C)CC)N(CC(C)C)C1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is KRWJKFLKQMFZGD-FCCDEINASA-N. The full InChI is InChI=1S/C18H37NO/c1-7-15(5)18(8-2)19(13-14(3)4)16-9-11-17(20-6)12-10-16/h14-18H,7-13H2,1-6H3/t15-,16?,17?,18+/m0/s1.
What are the key properties of 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine?
4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 142383702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).