N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine

C14H18N2 — CID 21393597

IUPACN,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1=CC2=C(CC1)N=C1CCCC=C12
InChIInChI=1S/C14H18N2/c1-16(2)10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h5,9H,3-4,6-8H2,1-2H3
InChIKeyLTGYBZUAYVDYSE-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.04
Rot. Bonds1

About N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine

N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine (PubChem CID 21393597) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine
PubChem CID21393597
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1=CC2=C(CC1)N=C1CCCC=C12
InChIInChI=1S/C14H18N2/c1-16(2)10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h5,9H,3-4,6-8H2,1-2H3
InChIKeyLTGYBZUAYVDYSE-UHFFFAOYSA-N
XLogP3.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine (CID 21393597) is N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine is CN(C)C1=CC2=C(CC1)N=C1CCCC=C12.
What is the InChIKey of N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine?
The InChIKey is LTGYBZUAYVDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16(2)10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h5,9H,3-4,6-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine?
N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine has a molecular weight of 214.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 21393597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).