N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine

C15H31N — CID 103561562

IUPACN-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCCCCC(C)NC1CC(C(C)C)C1
InChIInChI=1S/C15H31N/c1-5-6-7-8-9-13(4)16-15-10-14(11-15)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyHKBYGKDJGVNNNN-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds8

About N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine

N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561562) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561562
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCCCCC(C)NC1CC(C(C)C)C1
InChIInChI=1S/C15H31N/c1-5-6-7-8-9-13(4)16-15-10-14(11-15)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyHKBYGKDJGVNNNN-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103560702
3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
CID 114118781
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-heptan-2-ylcycloheptanamine
CID 43082272
cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine
CID 170129842
N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635717
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
CID 43635714
N-octan-2-ylspiro[4.5]decan-8-amine
CID 114817417

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine (CID 103561562) is N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine is CCCCCCC(C)NC1CC(C(C)C)C1.
What is the InChIKey of N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is HKBYGKDJGVNNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-6-7-8-9-13(4)16-15-10-14(11-15)12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine?
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).