ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine

C16H36N2 — CID 170569168

IUPACethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine
SMILESC=C(N)CN1CCCC1.CC.CCCCC(C)C
InChIInChI=1S/C7H14N2.C7H16.C2H6/c1-7(8)6-9-4-2-3-5-9;1-4-5-6-7(2)3;1-2/h1-6,8H2;7H,4-6H2,1-3H3;1-2H3
InChIKeyNXXQJSRNFMTHOR-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.41
Rot. Bonds5

About ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine

ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine (PubChem CID 170569168) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine.

Molecular Properties

Compound Nameethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine
PubChem CID170569168
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Nameethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine
SMILESC=C(N)CN1CCCC1.CC.CCCCC(C)C
InChIInChI=1S/C7H14N2.C7H16.C2H6/c1-7(8)6-9-4-2-3-5-9;1-4-5-6-7(2)3;1-2/h1-6,8H2;7H,4-6H2,1-3H3;1-2H3
InChIKeyNXXQJSRNFMTHOR-UHFFFAOYSA-N
XLogP4.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;hexane;2-methylhexane
CID 142051007
ethane;2-methylhexane;propane
CID 144516512
N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide
CID 98160006
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane
CID 170569656
tributyl(3-piperidin-1-ylprop-1-en-2-yl)stannane
CID 11080173
[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate
CID 2255143
ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine
CID 143207315
CID 91544051
CID 91544051
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine?
The IUPAC name of ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine (CID 170569168) is ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine.
What is the SMILES notation for ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine?
The canonical SMILES for ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine is C=C(N)CN1CCCC1.CC.CCCCC(C)C.
What is the InChIKey of ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine?
The InChIKey is NXXQJSRNFMTHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C7H16.C2H6/c1-7(8)6-9-4-2-3-5-9;1-4-5-6-7(2)3;1-2/h1-6,8H2;7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine?
ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine has a molecular weight of 256.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine is sourced from PubChem (CID 170569168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).