ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine

C9H24N2 — CID 145312268

IUPACethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
SMILESCC.NCCCN1CCCC1.[H][H]
InChIInChI=1S/C7H16N2.C2H6.H2/c8-4-3-7-9-5-1-2-6-9;1-2;/h1-8H2;1-2H3;1H
InChIKeyKTGIBKIJHKITJT-UHFFFAOYSA-N
MW160.31 g/mol
LogP1.70
Rot. Bonds3

About ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine

ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 145312268) has the molecular formula C9H24N2 and a molecular weight of 160.31 g/mol. Its IUPAC name is ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
PubChem CID145312268
Molecular FormulaC9H24N2
Molecular Weight160.31 g/mol
Exact Mass160.19
IUPAC Nameethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
SMILESCC.NCCCN1CCCC1.[H][H]
InChIInChI=1S/C7H16N2.C2H6.H2/c8-4-3-7-9-5-1-2-6-9;1-2;/h1-8H2;1-2H3;1H
InChIKeyKTGIBKIJHKITJT-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
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2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
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3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
CID 145081546
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
N'-[6-(azepan-1-yl)hexyl]hexane-1,6-diamine;ethane
CID 142304743
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine (CID 145312268) is ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine is CC.NCCCN1CCCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is KTGIBKIJHKITJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6.H2/c8-4-3-7-9-5-1-2-6-9;1-2;/h1-8H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine?
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 160.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 145312268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).