4-(2-tert-butylcyclopropyl)butan-1-amine

C11H23N — CID 170282350

IUPAC4-(2-tert-butylcyclopropyl)butan-1-amine
SMILESCC(C)(C)C1CC1CCCCN
InChIInChI=1S/C11H23N/c1-11(2,3)10-8-9(10)6-4-5-7-12/h9-10H,4-8,12H2,1-3H3
InChIKeyJHQIHYNGHCLZCI-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.80
Rot. Bonds4

About 4-(2-tert-butylcyclopropyl)butan-1-amine

4-(2-tert-butylcyclopropyl)butan-1-amine (PubChem CID 170282350) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-(2-tert-butylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-tert-butylcyclopropyl)butan-1-amine
PubChem CID170282350
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-(2-tert-butylcyclopropyl)butan-1-amine
SMILESCC(C)(C)C1CC1CCCCN
InChIInChI=1S/C11H23N/c1-11(2,3)10-8-9(10)6-4-5-7-12/h9-10H,4-8,12H2,1-3H3
InChIKeyJHQIHYNGHCLZCI-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.80
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

5-[2-(5-aminopentyl)cyclopropyl]pentan-1-amine
CID 58260208
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703
1-tert-butyl-2-(fluoromethyl)cyclopropane
CID 176792850
trans-(1S,2S)-1-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethyl]cyclopropane
CID 177285058
1-(2-methyloctan-2-yl)-2-undecylcyclopropane
CID 153337424
azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane
CID 175336315
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
CID 139022348
(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 140898338
[(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium
CID 163508624
8-[2-(8-aminooctyl)-3,4-dioctylcyclohexyl]octan-1-amine
CID 156680959
N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 115318685

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylcyclopropyl)butan-1-amine?
The IUPAC name of 4-(2-tert-butylcyclopropyl)butan-1-amine (CID 170282350) is 4-(2-tert-butylcyclopropyl)butan-1-amine.
What is the SMILES notation for 4-(2-tert-butylcyclopropyl)butan-1-amine?
The canonical SMILES for 4-(2-tert-butylcyclopropyl)butan-1-amine is CC(C)(C)C1CC1CCCCN.
What is the InChIKey of 4-(2-tert-butylcyclopropyl)butan-1-amine?
The InChIKey is JHQIHYNGHCLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-11(2,3)10-8-9(10)6-4-5-7-12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 4-(2-tert-butylcyclopropyl)butan-1-amine?
4-(2-tert-butylcyclopropyl)butan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylcyclopropyl)butan-1-amine is sourced from PubChem (CID 170282350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).