(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

C18H29N — CID 66476100

IUPAC(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCCCCc1ccc(C(N)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C18H29N/c1-6-7-8-13-9-11-14(12-10-13)15(19)16-17(2,3)18(16,4)5/h9-12,15-16H,6-8,19H2,1-5H3
InChIKeyGUIAIQKINDGITM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.71
Rot. Bonds5

About (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 66476100) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID66476100
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCCCCc1ccc(C(N)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C18H29N/c1-6-7-8-13-9-11-14(12-10-13)15(19)16-17(2,3)18(16,4)5/h9-12,15-16H,6-8,19H2,1-5H3
InChIKeyGUIAIQKINDGITM-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
CID 66517020
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
CID 112512257
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 66476100) is (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is CCCCc1ccc(C(N)C2C(C)(C)C2(C)C)cc1.
What is the InChIKey of (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is GUIAIQKINDGITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-6-7-8-13-9-11-14(12-10-13)15(19)16-17(2,3)18(16,4)5/h9-12,15-16H,6-8,19H2,1-5H3.
What are the key properties of (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 66476100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).