N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine

C18H29NO — CID 76997566

IUPACN-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
SMILESCC=Cc1ccccc1OCCCCCNCC(C)C
InChIInChI=1S/C18H29NO/c1-4-10-17-11-6-7-12-18(17)20-14-9-5-8-13-19-15-16(2)3/h4,6-7,10-12,16,19H,5,8-9,13-15H2,1-3H3
InChIKeyOUWUBEZYKGBMRA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.51
Rot. Bonds10

About N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine

N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine (PubChem CID 76997566) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
PubChem CID76997566
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
SMILESCC=Cc1ccccc1OCCCCCNCC(C)C
InChIInChI=1S/C18H29NO/c1-4-10-17-11-6-7-12-18(17)20-14-9-5-8-13-19-15-16(2)3/h4,6-7,10-12,16,19H,5,8-9,13-15H2,1-3H3
InChIKeyOUWUBEZYKGBMRA-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.51
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

N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943582
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76946631
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
CID 76997630
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
N-(2-methylpropyl)-5-naphthalen-2-yloxypentan-1-amine
CID 63498763
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
CID 116690384
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
2-methyl-N-[[5-[2-[(E)-prop-1-enyl]phenoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80619506

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine (CID 76997566) is N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine is CC=Cc1ccccc1OCCCCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine?
The InChIKey is OUWUBEZYKGBMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-10-17-11-6-7-12-18(17)20-14-9-5-8-13-19-15-16(2)3/h4,6-7,10-12,16,19H,5,8-9,13-15H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine?
N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine is sourced from PubChem (CID 76997566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).