N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine

C13H29N3 — CID 115709438

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine
SMILESCCC(C)NCCCN1CCN(CC)CC1
InChIInChI=1S/C13H29N3/c1-4-13(3)14-7-6-8-16-11-9-15(5-2)10-12-16/h13-14H,4-12H2,1-3H3
InChIKeyVXWXIGFDUIJDJY-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine

N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine (PubChem CID 115709438) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine
PubChem CID115709438
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine
SMILESCCC(C)NCCCN1CCN(CC)CC1
InChIInChI=1S/C13H29N3/c1-4-13(3)14-7-6-8-16-11-9-15(5-2)10-12-16/h13-14H,4-12H2,1-3H3
InChIKeyVXWXIGFDUIJDJY-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
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-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
CID 115709722
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
1-[4-[3-(propan-2-ylamino)propyl]piperazin-1-yl]propan-1-one
CID 146645130
1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
CID 106837078
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471
2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
CID 110441795
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
N-butan-2-yldodecan-1-amine
CID 63489622

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine (CID 115709438) is N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine is CCC(C)NCCCN1CCN(CC)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine?
The InChIKey is VXWXIGFDUIJDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-13(3)14-7-6-8-16-11-9-15(5-2)10-12-16/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine?
N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine is sourced from PubChem (CID 115709438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).