N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine

C17H34N2 — CID 167301621

IUPACN,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine
SMILESC=N/C(=C\N(C)C(C)(C)CCCC(C)CC)CCC
InChIInChI=1S/C17H34N2/c1-8-11-16(18-6)14-19(7)17(4,5)13-10-12-15(3)9-2/h14-15H,6,8-13H2,1-5,7H3/b16-14-
InChIKeyJTQUIFNFUWVNGI-PEZBUJJGSA-N
MW266.47 g/mol
LogP5.26
Rot. Bonds10

About N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine

N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine (PubChem CID 167301621) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine
PubChem CID167301621
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine
SMILESC=N/C(=C\N(C)C(C)(C)CCCC(C)CC)CCC
InChIInChI=1S/C17H34N2/c1-8-11-16(18-6)14-19(7)17(4,5)13-10-12-15(3)9-2/h14-15H,6,8-13H2,1-5,7H3/b16-14-
InChIKeyJTQUIFNFUWVNGI-PEZBUJJGSA-N
XLogP5.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.26
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,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine?
The IUPAC name of N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine (CID 167301621) is N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine.
What is the SMILES notation for N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine?
The canonical SMILES for N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine is C=N/C(=C\N(C)C(C)(C)CCCC(C)CC)CCC.
What is the InChIKey of N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine?
The InChIKey is JTQUIFNFUWVNGI-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H34N2/c1-8-11-16(18-6)14-19(7)17(4,5)13-10-12-15(3)9-2/h14-15H,6,8-13H2,1-5,7H3/b16-14-.
What are the key properties of N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine?
N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine is sourced from PubChem (CID 167301621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).