N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine

C17H37N3 — CID 62776737

IUPACN-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
SMILESCCCC(NCC)C(CC)N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H37N3/c1-6-9-16(18-8-3)17(7-2)20-12-10-19(11-13-20)14-15(4)5/h15-18H,6-14H2,1-5H3
InChIKeyUXCQSOLQQOSESJ-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds9

About N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine

N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine (PubChem CID 62776737) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
PubChem CID62776737
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
SMILESCCCC(NCC)C(CC)N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H37N3/c1-6-9-16(18-8-3)17(7-2)20-12-10-19(11-13-20)14-15(4)5/h15-18H,6-14H2,1-5H3
InChIKeyUXCQSOLQQOSESJ-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
CID 62778147
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pentan-2-amine
CID 62776170
N-ethyl-3-(3-methoxy-3-methylpiperidin-1-yl)heptan-4-amine
CID 107391794
N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62776257
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine
CID 62133567
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylheptan-4-amine
CID 63468413
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine
CID 63610035
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylheptan-4-amine
CID 102725992
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
The IUPAC name of N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine (CID 62776737) is N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine.
What is the SMILES notation for N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
The canonical SMILES for N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine is CCCC(NCC)C(CC)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
The InChIKey is UXCQSOLQQOSESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-9-16(18-8-3)17(7-2)20-12-10-19(11-13-20)14-15(4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine is sourced from PubChem (CID 62776737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).