N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine

C16H35N3 — CID 62560602

IUPACN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-6-7-8-16(4)17-9-10-18-11-13-19(14-12-18)15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyGLQOFERKUSFNAR-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds9

About N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine

N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine (PubChem CID 62560602) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
PubChem CID62560602
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-6-7-8-16(4)17-9-10-18-11-13-19(14-12-18)15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyGLQOFERKUSFNAR-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
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-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine
CID 63503790
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine
CID 79945499
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pentan-2-amine
CID 62776170
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylnonan-1-amine
CID 63491715

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine (CID 62560602) is N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCN1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine?
The InChIKey is GLQOFERKUSFNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-6-7-8-16(4)17-9-10-18-11-13-19(14-12-18)15(2)3/h15-17H,5-14H2,1-4H3.
What are the key properties of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine?
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 62560602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).