N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine

C17H37N3 — CID 63610035

IUPACN-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine
SMILESCCCNC(CCC)C(CC)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H37N3/c1-7-10-15(18-11-8-2)16(9-3)20-13-12-19(6)17(4,5)14-20/h15-16,18H,7-14H2,1-6H3
InChIKeySOUQVCPBYQTMSJ-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.96
Rot. Bonds8

About N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine

N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine (PubChem CID 63610035) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine.

Molecular Properties

Compound NameN-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine
PubChem CID63610035
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine
SMILESCCCNC(CCC)C(CC)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H37N3/c1-7-10-15(18-11-8-2)16(9-3)20-13-12-19(6)17(4,5)14-20/h15-16,18H,7-14H2,1-6H3
InChIKeySOUQVCPBYQTMSJ-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 921367
Piperazine, 1-dodecyl-
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1-Tetradecylpiperazine
CID 9971041
1-Tridecylpiperazine
CID 12930912
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
2-(2-Ethylpiperidin-1-yl)ethan-1-amine
CID 6422628
Methyl[(1-methylpiperidin-2-yl)methyl]amine
CID 10240913
1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine
CID 44592859
N,N'-Bis(2-heptyl)-ethylenediamine
CID 469909
1-Undecylpiperazine
CID 12930911
Piperidine, 2-(((2-(diethylamino)ethyl)amino)methyl)-1,6-dimethyl-
CID 201021

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine?
The IUPAC name of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine (CID 63610035) is N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine.
What is the SMILES notation for N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine?
The canonical SMILES for N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine is CCCNC(CCC)C(CC)N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine?
The InChIKey is SOUQVCPBYQTMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-10-15(18-11-8-2)16(9-3)20-13-12-19(6)17(4,5)14-20/h15-16,18H,7-14H2,1-6H3.
What are the key properties of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine?
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine has a molecular weight of 283.50 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine is sourced from PubChem (CID 63610035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).