N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine

C18H29NO — CID 76943648

IUPACN-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CCCNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-6-10-16-12-7-8-13-17(16)20-15(2)11-9-14-19-18(3,4)5/h6-8,10,12-13,15,19H,9,11,14H2,1-5H3
InChIKeyZXVDURLXDOHZKZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.66
Rot. Bonds7

About N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine

N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine (PubChem CID 76943648) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
PubChem CID76943648
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CCCNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-6-10-16-12-7-8-13-17(16)20-15(2)11-9-14-19-18(3,4)5/h6-8,10,12-13,15,19H,9,11,14H2,1-5H3
InChIKeyZXVDURLXDOHZKZ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
CID 76943607
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943605
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
CID 131866211
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
CID 76997630
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
CID 76997631
4-(2-bromo-4-fluorophenoxy)-N-tert-butylpentan-1-amine
CID 62451485
N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
CID 62452811
N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
4-but-2-enoxy-N-tert-butylpentan-1-amine
CID 76943452
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine (CID 76943648) is N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine is CC=Cc1ccccc1OC(C)CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine?
The InChIKey is ZXVDURLXDOHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-10-16-12-7-8-13-17(16)20-15(2)11-9-14-19-18(3,4)5/h6-8,10,12-13,15,19H,9,11,14H2,1-5H3.
What are the key properties of N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine?
N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine is sourced from PubChem (CID 76943648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).