N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine

C17H30N4O — CID 94759879

IUPACN-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
SMILESCC(C)Oc1ccc(CCCNN2CCN(C)CC2)cc1N
InChIInChI=1S/C17H30N4O/c1-14(2)22-17-7-6-15(13-16(17)18)5-4-8-19-21-11-9-20(3)10-12-21/h6-7,13-14,19H,4-5,8-12,18H2,1-3H3
InChIKeyWZQPWNPYBHQDLN-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.74
Rot. Bonds7

About N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine

N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine (PubChem CID 94759879) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
PubChem CID94759879
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
SMILESCC(C)Oc1ccc(CCCNN2CCN(C)CC2)cc1N
InChIInChI=1S/C17H30N4O/c1-14(2)22-17-7-6-15(13-16(17)18)5-4-8-19-21-11-9-20(3)10-12-21/h6-7,13-14,19H,4-5,8-12,18H2,1-3H3
InChIKeyWZQPWNPYBHQDLN-UHFFFAOYSA-N
XLogP1.74
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 94759107
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 82153253
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
CID 82070796
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
5-[3-(3,4-difluoroanilino)propyl]-2-propan-2-yloxyaniline
CID 94760435

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine (CID 94759879) is N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine is CC(C)Oc1ccc(CCCNN2CCN(C)CC2)cc1N.
What is the InChIKey of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine?
The InChIKey is WZQPWNPYBHQDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)22-17-7-6-15(13-16(17)18)5-4-8-19-21-11-9-20(3)10-12-21/h6-7,13-14,19H,4-5,8-12,18H2,1-3H3.
What are the key properties of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine?
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine has a molecular weight of 306.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 94759879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).