N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine

C15H29N — CID 167544317

IUPACN-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine
SMILESCC1CC(N(CC2CCCCC2)C(C)C)C1
InChIInChI=1S/C15H29N/c1-12(2)16(15-9-13(3)10-15)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3
InChIKeyQDQRBEUEIZRXIL-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.08
Rot. Bonds4

About N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine

N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine (PubChem CID 167544317) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine
PubChem CID167544317
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine
SMILESCC1CC(N(CC2CCCCC2)C(C)C)C1
InChIInChI=1S/C15H29N/c1-12(2)16(15-9-13(3)10-15)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3
InChIKeyQDQRBEUEIZRXIL-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine (CID 167544317) is N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine is CC1CC(N(CC2CCCCC2)C(C)C)C1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is QDQRBEUEIZRXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12(2)16(15-9-13(3)10-15)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine?
N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 167544317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).