(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine

C13H27N3 — CID 107008055

IUPAC(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
SMILESC=CCCCCCN1CCN(C)CC1CN
InChIInChI=1S/C13H27N3/c1-3-4-5-6-7-8-16-10-9-15(2)12-13(16)11-14/h3,13H,1,4-12,14H2,2H3
InChIKeyDILIOZMCJKLIKC-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.31
Rot. Bonds7

About (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine

(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine (PubChem CID 107008055) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
PubChem CID107008055
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
SMILESC=CCCCCCN1CCN(C)CC1CN
InChIInChI=1S/C13H27N3/c1-3-4-5-6-7-8-16-10-9-15(2)12-13(16)11-14/h3,13H,1,4-12,14H2,2H3
InChIKeyDILIOZMCJKLIKC-UHFFFAOYSA-N
XLogP1.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
CID 80506811
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine
CID 104565227
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
CID 107008015
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
CID 107008070
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
CID 115486286
1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
CID 107008057

Frequently Asked Questions

What is the IUPAC name of (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine?
The IUPAC name of (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine (CID 107008055) is (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine is C=CCCCCCN1CCN(C)CC1CN.
What is the InChIKey of (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine?
The InChIKey is DILIOZMCJKLIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-4-5-6-7-8-16-10-9-15(2)12-13(16)11-14/h3,13H,1,4-12,14H2,2H3.
What are the key properties of (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine?
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 107008055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).