N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine

C14H24N2 — CID 126597376

IUPACN-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine
SMILESC=NCCN(CC1=CC=CCC1)CC(C)C
InChIInChI=1S/C14H24N2/c1-13(2)11-16(10-9-15-3)12-14-7-5-4-6-8-14/h4-5,7,13H,3,6,8-12H2,1-2H3
InChIKeyXWHPUKRBWRDGON-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.92
Rot. Bonds7

About N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine

N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine (PubChem CID 126597376) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine
PubChem CID126597376
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine
SMILESC=NCCN(CC1=CC=CCC1)CC(C)C
InChIInChI=1S/C14H24N2/c1-13(2)11-16(10-9-15-3)12-14-7-5-4-6-8-14/h4-5,7,13H,3,6,8-12H2,1-2H3
InChIKeyXWHPUKRBWRDGON-UHFFFAOYSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine?
The IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine (CID 126597376) is N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine.
What is the SMILES notation for N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine?
The canonical SMILES for N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine is C=NCCN(CC1=CC=CCC1)CC(C)C.
What is the InChIKey of N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine?
The InChIKey is XWHPUKRBWRDGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-13(2)11-16(10-9-15-3)12-14-7-5-4-6-8-14/h4-5,7,13H,3,6,8-12H2,1-2H3.
What are the key properties of N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine?
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methyl-N-[2-(methylideneamino)ethyl]propan-1-amine is sourced from PubChem (CID 126597376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).