N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine

C15H31NO — CID 121474447

IUPACN-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine
SMILESCOC(C)(C)CCN(C(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-13(2)16(12-11-15(3,4)17-5)14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3
InChIKeyJZYIDLDHGKJRQS-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.84
Rot. Bonds6

About N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine

N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine (PubChem CID 121474447) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine
PubChem CID121474447
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine
SMILESCOC(C)(C)CCN(C(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-13(2)16(12-11-15(3,4)17-5)14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3
InChIKeyJZYIDLDHGKJRQS-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine (CID 121474447) is N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine is COC(C)(C)CCN(C(C)C)C1CCCCC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine?
The InChIKey is JZYIDLDHGKJRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)16(12-11-15(3,4)17-5)14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine?
N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine has a molecular weight of 241.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine is sourced from PubChem (CID 121474447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).