ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine

C15H36N2 — CID 142155161

IUPACethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
SMILESCC.CC.CCC(CC)NCCN1CCCC1
InChIInChI=1S/C11H24N2.2C2H6/c1-3-11(4-2)12-7-10-13-8-5-6-9-13;2*1-2/h11-12H,3-10H2,1-2H3;2*1-2H3
InChIKeyUFHWBQASDKIZFE-UHFFFAOYSA-N
MW244.47 g/mol
LogP3.91
Rot. Bonds6

About ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine

ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine (PubChem CID 142155161) has the molecular formula C15H36N2 and a molecular weight of 244.47 g/mol. Its IUPAC name is ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine.

Molecular Properties

Compound Nameethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
PubChem CID142155161
Molecular FormulaC15H36N2
Molecular Weight244.47 g/mol
Exact Mass244.29
IUPAC Nameethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
SMILESCC.CC.CCC(CC)NCCN1CCCC1
InChIInChI=1S/C11H24N2.2C2H6/c1-3-11(4-2)12-7-10-13-8-5-6-9-13;2*1-2/h11-12H,3-10H2,1-2H3;2*1-2H3
InChIKeyUFHWBQASDKIZFE-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913663
N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
CID 62573209
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]pentan-3-amine
CID 114083776
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107911684
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
[1-[2-(pentan-3-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718462
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]pentan-3-amine
CID 115562338
1-(2-piperidin-1-ylethylamino)ethanethiol
CID 129067667

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine?
The IUPAC name of ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine (CID 142155161) is ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine.
What is the SMILES notation for ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine?
The canonical SMILES for ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine is CC.CC.CCC(CC)NCCN1CCCC1.
What is the InChIKey of ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine?
The InChIKey is UFHWBQASDKIZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.2C2H6/c1-3-11(4-2)12-7-10-13-8-5-6-9-13;2*1-2/h11-12H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine?
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine has a molecular weight of 244.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine is sourced from PubChem (CID 142155161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).