1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine

C16H29N — CID 70927498

IUPAC1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine
SMILESNC(CC1CCC1)(CC1CCC1)CC1CCC1
InChIInChI=1S/C16H29N/c17-16(10-13-4-1-5-13,11-14-6-2-7-14)12-15-8-3-9-15/h13-15H,1-12,17H2
InChIKeyQWLVZEJNWSBLLH-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.25
Rot. Bonds6

About 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine

1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine (PubChem CID 70927498) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine.

Molecular Properties

Compound Name1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine
PubChem CID70927498
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine
SMILESNC(CC1CCC1)(CC1CCC1)CC1CCC1
InChIInChI=1S/C16H29N/c17-16(10-13-4-1-5-13,11-14-6-2-7-14)12-15-8-3-9-15/h13-15H,1-12,17H2
InChIKeyQWLVZEJNWSBLLH-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine?
The IUPAC name of 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine (CID 70927498) is 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine.
What is the SMILES notation for 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine?
The canonical SMILES for 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine is NC(CC1CCC1)(CC1CCC1)CC1CCC1.
What is the InChIKey of 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine?
The InChIKey is QWLVZEJNWSBLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c17-16(10-13-4-1-5-13,11-14-6-2-7-14)12-15-8-3-9-15/h13-15H,1-12,17H2.
What are the key properties of 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine?
1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine is sourced from PubChem (CID 70927498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).