N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine

C14H31N3 — CID 63899137

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCC1CN(C)CCN1C
InChIInChI=1S/C14H31N3/c1-4-5-6-7-8-9-15-12-14-13-16(2)10-11-17(14)3/h14-15H,4-13H2,1-3H3
InChIKeyOILHCMIIILQQAW-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds8

About N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine (PubChem CID 63899137) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
PubChem CID63899137
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCC1CN(C)CCN1C
InChIInChI=1S/C14H31N3/c1-4-5-6-7-8-9-15-12-14-13-16(2)10-11-17(14)3/h14-15H,4-13H2,1-3H3
InChIKeyOILHCMIIILQQAW-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
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-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326353
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409514
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
butyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetate
CID 63896903
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile
CID 65253055
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 63897251
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
ethyl 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpropanoate
CID 63896899

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine (CID 63899137) is N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine is CCCCCCCNCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine?
The InChIKey is OILHCMIIILQQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-5-6-7-8-9-15-12-14-13-16(2)10-11-17(14)3/h14-15H,4-13H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine is sourced from PubChem (CID 63899137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).