N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine

C14H25NO — CID 153330092

IUPACN-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine
SMILESC/C=C\C(C)=C/C(=C/CC)OC(C)CNC
InChIInChI=1S/C14H25NO/c1-6-8-12(3)10-14(9-7-2)16-13(4)11-15-5/h6,8-10,13,15H,7,11H2,1-5H3/b8-6-,12-10-,14-9-
InChIKeyUAVFTXUWFJXOSA-DGHFLRIRSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds7

About N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine

N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine (PubChem CID 153330092) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine
PubChem CID153330092
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine
SMILESC/C=C\C(C)=C/C(=C/CC)OC(C)CNC
InChIInChI=1S/C14H25NO/c1-6-8-12(3)10-14(9-7-2)16-13(4)11-15-5/h6,8-10,13,15H,7,11H2,1-5H3/b8-6-,12-10-,14-9-
InChIKeyUAVFTXUWFJXOSA-DGHFLRIRSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?
The IUPAC name of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine (CID 153330092) is N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine.
What is the SMILES notation for N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?
The canonical SMILES for N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine is C/C=C\C(C)=C/C(=C/CC)OC(C)CNC.
What is the InChIKey of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?
The InChIKey is UAVFTXUWFJXOSA-DGHFLRIRSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-8-12(3)10-14(9-7-2)16-13(4)11-15-5/h6,8-10,13,15H,7,11H2,1-5H3/b8-6-,12-10-,14-9-.
What are the key properties of N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine?
N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine is sourced from PubChem (CID 153330092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).