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

C12H25N — CID 103560702

IUPACN-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCC(C)NC1CC(C(C)C)C1
InChIInChI=1S/C12H25N/c1-5-6-10(4)13-12-7-11(8-12)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyCWPOPWZOWPHKRE-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds5

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

N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103560702) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine
PubChem CID103560702
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCC(C)NC1CC(C(C)C)C1
InChIInChI=1S/C12H25N/c1-5-6-10(4)13-12-7-11(8-12)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyCWPOPWZOWPHKRE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
N-pentan-2-ylcyclooctanamine
CID 43079432
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561357
3-propan-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 103561795
N-pentan-2-ylthian-4-amine
CID 43394859
N-pentan-2-ylspiro[4.5]decan-8-amine
CID 114817029
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
CID 142975132

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine (CID 103560702) is N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine is CCCC(C)NC1CC(C(C)C)C1.
What is the InChIKey of N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is CWPOPWZOWPHKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-6-10(4)13-12-7-11(8-12)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine?
N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103560702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).