N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine

C14H27NO — CID 177320209

IUPACN,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine
SMILESCC/C=C(/C)OC(CCCCNC)=C(C)C
InChIInChI=1S/C14H27NO/c1-6-9-13(4)16-14(12(2)3)10-7-8-11-15-5/h9,15H,6-8,10-11H2,1-5H3/b13-9-
InChIKeyGTCDEYSUSZZKIA-LCYFTJDESA-N
MW225.38 g/mol
LogP4.00
Rot. Bonds8

About N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine

N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine (PubChem CID 177320209) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine
PubChem CID177320209
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine
SMILESCC/C=C(/C)OC(CCCCNC)=C(C)C
InChIInChI=1S/C14H27NO/c1-6-9-13(4)16-14(12(2)3)10-7-8-11-15-5/h9,15H,6-8,10-11H2,1-5H3/b13-9-
InChIKeyGTCDEYSUSZZKIA-LCYFTJDESA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
(E)-6-methoxy-N-methylnon-6-en-1-amine
CID 174273360
N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine
CID 177319659
3-[(2Z,7E)-3,8-dimethyl-5,6-dihydro-4H-oxocin-2-yl]-N-methylpropan-1-amine
CID 177319745
5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
CID 177319959
(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
CID 177319970
4-(3,7-Dimethyl-4,5-dihydrooxepin-2-yl)butan-1-amine
CID 177320186
5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine
CID 177320227
2-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylethanamine
CID 12400613

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine?
The IUPAC name of N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine (CID 177320209) is N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine.
What is the SMILES notation for N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine?
The canonical SMILES for N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine is CC/C=C(/C)OC(CCCCNC)=C(C)C.
What is the InChIKey of N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine?
The InChIKey is GTCDEYSUSZZKIA-LCYFTJDESA-N. The full InChI is InChI=1S/C14H27NO/c1-6-9-13(4)16-14(12(2)3)10-7-8-11-15-5/h9,15H,6-8,10-11H2,1-5H3/b13-9-.
What are the key properties of N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine?
N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine is sourced from PubChem (CID 177320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).