N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine

C13H27N — CID 12865551

IUPACN-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCCCC1)C(C)C
InChIInChI=1S/C13H27N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h11-13H,5-10H2,1-4H3
InChIKeyLRPGWPGSWJYFTP-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds4

About N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine

N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 12865551) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine
PubChem CID12865551
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCCCC1)C(C)C
InChIInChI=1S/C13H27N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h11-13H,5-10H2,1-4H3
InChIKeyLRPGWPGSWJYFTP-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine (CID 12865551) is N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CC1CCCCC1)C(C)C.
What is the InChIKey of N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is LRPGWPGSWJYFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h11-13H,5-10H2,1-4H3.
What are the key properties of N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine?
N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 12865551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).