N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine

C19H35N — CID 23212130

IUPACN-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCC1(C)C=C(C)C(C)=C1C
InChIInChI=1S/C19H35N/c1-7-9-12-20(13-10-8-2)14-11-19(6)15-16(3)17(4)18(19)5/h15H,7-14H2,1-6H3
InChIKeyNLSOYLCAISTRNP-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.58
Rot. Bonds9

About N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine

N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine (PubChem CID 23212130) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine
PubChem CID23212130
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCC1(C)C=C(C)C(C)=C1C
InChIInChI=1S/C19H35N/c1-7-9-12-20(13-10-8-2)14-11-19(6)15-16(3)17(4)18(19)5/h15H,7-14H2,1-6H3
InChIKeyNLSOYLCAISTRNP-UHFFFAOYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine with MolForge

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Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N,N-dibutylpentadecan-1-amine
CID 4175227
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine (CID 23212130) is N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine is CCCCN(CCCC)CCC1(C)C=C(C)C(C)=C1C.
What is the InChIKey of N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine?
The InChIKey is NLSOYLCAISTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-7-9-12-20(13-10-8-2)14-11-19(6)15-16(3)17(4)18(19)5/h15H,7-14H2,1-6H3.
What are the key properties of N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine?
N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 23212130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).