1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine

C19H29N — CID 105037317

IUPAC1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29N/c1-6-8-9-10-18(20-15-7-2)16-11-13-17(14-12-16)19(3,4)5/h11-14,18,20H,7,9-10,15H2,1-5H3
InChIKeyUWYQKMVZOZNINO-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.83
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine

1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine (PubChem CID 105037317) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
PubChem CID105037317
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29N/c1-6-8-9-10-18(20-15-7-2)16-11-13-17(14-12-16)19(3,4)5/h11-14,18,20H,7,9-10,15H2,1-5H3
InChIKeyUWYQKMVZOZNINO-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
1-(3,4-difluorophenyl)-N-propylhex-4-yn-1-amine
CID 104804644
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(3-bromophenyl)-N-propylhex-4-yn-1-amine
CID 113455212
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301
1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037474
N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine
CID 105181551
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-propylhex-4-yn-1-amine
CID 105037197
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine (CID 105037317) is 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine?
The InChIKey is UWYQKMVZOZNINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-6-8-9-10-18(20-15-7-2)16-11-13-17(14-12-16)19(3,4)5/h11-14,18,20H,7,9-10,15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine?
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine is sourced from PubChem (CID 105037317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).