ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane

C17H38N2 — CID 176657759

IUPACethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane
SMILESCC.CC.CC(C)N1CCC2CC21.CN1CCCC1
InChIInChI=1S/C8H15N.C5H11N.2C2H6/c1-6(2)9-4-3-7-5-8(7)9;1-6-4-2-3-5-6;2*1-2/h6-8H,3-5H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyIANVOVAQKPRKFT-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.25
Rot. Bonds1

About ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane

ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane (PubChem CID 176657759) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane
PubChem CID176657759
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Nameethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane
SMILESCC.CC.CC(C)N1CCC2CC21.CN1CCCC1
InChIInChI=1S/C8H15N.C5H11N.2C2H6/c1-6(2)9-4-3-7-5-8(7)9;1-6-4-2-3-5-6;2*1-2/h6-8H,3-5H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyIANVOVAQKPRKFT-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 20700265
(1R,4R)-2-tert-butyl-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 57911365
N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 58904694
(1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 58960916
1-Propan-2-yl-1-azoniabicyclo[2.2.1]heptane
CID 59226180
2-(Cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 59418261
N,N-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
CID 68268712
N,N-dimethylmethanamine;2-methyl-2-azabicyclo[3.1.0]hexane
CID 70262925
(1S,4S)-2-tert-butyl-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 70962185
2-Tert-butyl-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 76639195
(1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 89142304
(1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 90179046

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane (CID 176657759) is ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane is CC.CC.CC(C)N1CCC2CC21.CN1CCCC1.
What is the InChIKey of ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
The InChIKey is IANVOVAQKPRKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C5H11N.2C2H6/c1-6(2)9-4-3-7-5-8(7)9;1-6-4-2-3-5-6;2*1-2/h6-8H,3-5H2,1-2H3;2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane has a molecular weight of 270.50 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 176657759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).