(4-methyl-1-pentylpiperazin-2-yl)methanamine

C11H25N3 — CID 80504437

IUPAC(4-methyl-1-pentylpiperazin-2-yl)methanamine
SMILESCCCCCN1CCN(C)CC1CN
InChIInChI=1S/C11H25N3/c1-3-4-5-6-14-8-7-13(2)10-11(14)9-12/h11H,3-10,12H2,1-2H3
InChIKeyQXYJUPSBAJCOOE-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds5

About (4-methyl-1-pentylpiperazin-2-yl)methanamine

(4-methyl-1-pentylpiperazin-2-yl)methanamine (PubChem CID 80504437) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is (4-methyl-1-pentylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1-pentylpiperazin-2-yl)methanamine
PubChem CID80504437
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name(4-methyl-1-pentylpiperazin-2-yl)methanamine
SMILESCCCCCN1CCN(C)CC1CN
InChIInChI=1S/C11H25N3/c1-3-4-5-6-14-8-7-13(2)10-11(14)9-12/h11H,3-10,12H2,1-2H3
InChIKeyQXYJUPSBAJCOOE-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 117003742
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
CID 107008055
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine
CID 80504638
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine
CID 104565227
methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
CID 80506811
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
(1-dodecylazepan-2-yl)methanamine
CID 116640397
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-pentylpiperazin-2-yl)methanamine?
The IUPAC name of (4-methyl-1-pentylpiperazin-2-yl)methanamine (CID 80504437) is (4-methyl-1-pentylpiperazin-2-yl)methanamine.
What is the SMILES notation for (4-methyl-1-pentylpiperazin-2-yl)methanamine?
The canonical SMILES for (4-methyl-1-pentylpiperazin-2-yl)methanamine is CCCCCN1CCN(C)CC1CN.
What is the InChIKey of (4-methyl-1-pentylpiperazin-2-yl)methanamine?
The InChIKey is QXYJUPSBAJCOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-4-5-6-14-8-7-13(2)10-11(14)9-12/h11H,3-10,12H2,1-2H3.
What are the key properties of (4-methyl-1-pentylpiperazin-2-yl)methanamine?
(4-methyl-1-pentylpiperazin-2-yl)methanamine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-pentylpiperazin-2-yl)methanamine is sourced from PubChem (CID 80504437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).