N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine

C14H27NO — CID 88583271

IUPACN-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
SMILESC=C/C(=C\CC(C)C)OC(CC)CCNC
InChIInChI=1S/C14H27NO/c1-6-13(9-8-12(3)4)16-14(7-2)10-11-15-5/h6,9,12,14-15H,1,7-8,10-11H2,2-5H3/b13-9+
InChIKeyRKAJFVOTFSWXAZ-UKTHLTGXSA-N
MW225.38 g/mol
LogP3.51
Rot. Bonds9

About N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine

N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine (PubChem CID 88583271) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
PubChem CID88583271
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
SMILESC=C/C(=C\CC(C)C)OC(CC)CCNC
InChIInChI=1S/C14H27NO/c1-6-13(9-8-12(3)4)16-14(7-2)10-11-15-5/h6,9,12,14-15H,1,7-8,10-11H2,2-5H3/b13-9+
InChIKeyRKAJFVOTFSWXAZ-UKTHLTGXSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.51
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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Related Compounds

1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 138502674
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
CID 70304399
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine
CID 126706515
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 130246395
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
but-1-ene;ethane;1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 141949628
2-(4-ethoxycyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanamine
CID 142206565
N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine
CID 143275223
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine?
The IUPAC name of N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine (CID 88583271) is N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine.
What is the SMILES notation for N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine?
The canonical SMILES for N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine is C=C/C(=C\CC(C)C)OC(CC)CCNC.
What is the InChIKey of N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine?
The InChIKey is RKAJFVOTFSWXAZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-13(9-8-12(3)4)16-14(7-2)10-11-15-5/h6,9,12,14-15H,1,7-8,10-11H2,2-5H3/b13-9+.
What are the key properties of N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine?
N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine is sourced from PubChem (CID 88583271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).