N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine

C29H54N2 — CID 123241621

IUPACN,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
SMILESC=C(CCCC)C(C)C/N=C(\C)CCCC=C(C)N(C)CCC(C)CCCC=C(C)C
InChIInChI=1S/C29H54N2/c1-10-11-18-26(5)27(6)23-30-28(7)19-14-15-20-29(8)31(9)22-21-25(4)17-13-12-16-24(2)3/h16,20,25,27H,5,10-15,17-19,21-23H2,1-4,6-9H3/b29-20?,30-28+
InChIKeyVTVSNDPAGPZZDN-VBZWJBBYSA-N
MW430.77 g/mol
LogP9.00
Rot. Bonds18

About N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine

N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine (PubChem CID 123241621) has the molecular formula C29H54N2 and a molecular weight of 430.77 g/mol. Its IUPAC name is N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine.

Molecular Properties

Compound NameN,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
PubChem CID123241621
Molecular FormulaC29H54N2
Molecular Weight430.77 g/mol
Exact Mass430.43
IUPAC NameN,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
SMILESC=C(CCCC)C(C)C/N=C(\C)CCCC=C(C)N(C)CCC(C)CCCC=C(C)C
InChIInChI=1S/C29H54N2/c1-10-11-18-26(5)27(6)23-30-28(7)19-14-15-20-29(8)31(9)22-21-25(4)17-13-12-16-24(2)3/h16,20,25,27H,5,10-15,17-19,21-23H2,1-4,6-9H3/b29-20?,30-28+
InChIKeyVTVSNDPAGPZZDN-VBZWJBBYSA-N
XLogP9.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.77
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine?
The IUPAC name of N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine (CID 123241621) is N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine.
What is the SMILES notation for N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine?
The canonical SMILES for N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine is C=C(CCCC)C(C)C/N=C(\C)CCCC=C(C)N(C)CCC(C)CCCC=C(C)C.
What is the InChIKey of N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine?
The InChIKey is VTVSNDPAGPZZDN-VBZWJBBYSA-N. The full InChI is InChI=1S/C29H54N2/c1-10-11-18-26(5)27(6)23-30-28(7)19-14-15-20-29(8)31(9)22-21-25(4)17-13-12-16-24(2)3/h16,20,25,27H,5,10-15,17-19,21-23H2,1-4,6-9H3/b29-20?,30-28+.
What are the key properties of N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine?
N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine has a molecular weight of 430.77 g/mol, XLogP of 9.00, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine is sourced from PubChem (CID 123241621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).