N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine

C18H29N — CID 116518632

IUPACN-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(CNC(C)(C)C)C(C)C1CC1c1ccccc1
InChIInChI=1S/C18H29N/c1-13(12-19-18(3,4)5)14(2)16-11-17(16)15-9-7-6-8-10-15/h6-10,13-14,16-17,19H,11-12H2,1-5H3
InChIKeyHXWTWHXGFUFXTB-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.45
Rot. Bonds5

About N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine

N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116518632) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116518632
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(CNC(C)(C)C)C(C)C1CC1c1ccccc1
InChIInChI=1S/C18H29N/c1-13(12-19-18(3,4)5)14(2)16-11-17(16)15-9-7-6-8-10-15/h6-10,13-14,16-17,19H,11-12H2,1-5H3
InChIKeyHXWTWHXGFUFXTB-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine
CID 116518633
N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine
CID 107446778
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
[2-(4-chloropentan-2-yl)cyclopropyl]benzene
CID 116518369
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
3-methyl-N-(2-methylpropyl)-2-(2-phenylcyclopropyl)butan-1-amine
CID 116518003
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine (CID 116518632) is N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine is CC(CNC(C)(C)C)C(C)C1CC1c1ccccc1.
What is the InChIKey of N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is HXWTWHXGFUFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(12-19-18(3,4)5)14(2)16-11-17(16)15-9-7-6-8-10-15/h6-10,13-14,16-17,19H,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine?
N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116518632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).