N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine

C15H31N — CID 170005611

IUPACN-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
SMILESCCCCN(C)CC1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-5-6-11-16(4)12-14-7-9-15(10-8-14)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyALFURBGZCPFEHW-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.18
Rot. Bonds6

About N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine

N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine (PubChem CID 170005611) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
PubChem CID170005611
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
SMILESCCCCN(C)CC1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-5-6-11-16(4)12-14-7-9-15(10-8-14)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyALFURBGZCPFEHW-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine (CID 170005611) is N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine is CCCCN(C)CC1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
The InChIKey is ALFURBGZCPFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-6-11-16(4)12-14-7-9-15(10-8-14)13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine is sourced from PubChem (CID 170005611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).