1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

C11H20N2 — CID 137194550

IUPAC1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(CN(C)C)CC=C1
InChIInChI=1S/C11H20N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-6H,7-9H2,1-4H3
InChIKeyTZUMBNANHHCCHL-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.37
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 137194550) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID137194550
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(CN(C)C)CC=C1
InChIInChI=1S/C11H20N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-6H,7-9H2,1-4H3
InChIKeyTZUMBNANHHCCHL-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
C14H19FeN
CID 16212256
(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine, 97%
CID 16212257
1,3-Cyclopentadiene, 5-[2-(dimethylamino)ethyl]-
CID 546878
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
alpha-(N,N-Dimethylamino)ethylferrocene
CID 11010616
-(N,N-Dimethylamino)ethylferrocene
CID 102600828
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (CID 137194550) is 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is CN(C)CC1=C(CN(C)C)CC=C1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is TZUMBNANHHCCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-6H,7-9H2,1-4H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 180.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137194550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).