1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine

C14H25N — CID 141493771

IUPAC1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CCC)C1(C)C=CC=CC1C
InChIInChI=1S/C14H25N/c1-5-11-15(12-6-2)14(4)10-8-7-9-13(14)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyMBFCHQNBGKWMBO-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.63
Rot. Bonds5

About 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine

1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine (PubChem CID 141493771) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine
PubChem CID141493771
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CCC)C1(C)C=CC=CC1C
InChIInChI=1S/C14H25N/c1-5-11-15(12-6-2)14(4)10-8-7-9-13(14)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyMBFCHQNBGKWMBO-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine (CID 141493771) is 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine is CCCN(CCC)C1(C)C=CC=CC1C.
What is the InChIKey of 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The InChIKey is MBFCHQNBGKWMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-11-15(12-6-2)14(4)10-8-7-9-13(14)3/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine?
1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N,N-dipropylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141493771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).