N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine

C14H27NO — CID 103559402

IUPACN-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine
SMILESC=CCCCC(CC1(OC)CCC1)NCC
InChIInChI=1S/C14H27NO/c1-4-6-7-9-13(15-5-2)12-14(16-3)10-8-11-14/h4,13,15H,1,5-12H2,2-3H3
InChIKeyOYPADKOFYILNRV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds9

About N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine

N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine (PubChem CID 103559402) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine
PubChem CID103559402
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine
SMILESC=CCCCC(CC1(OC)CCC1)NCC
InChIInChI=1S/C14H27NO/c1-4-6-7-9-13(15-5-2)12-14(16-3)10-8-11-14/h4,13,15H,1,5-12H2,2-3H3
InChIKeyOYPADKOFYILNRV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330142
2-methoxy-2-methyl-N-propyloct-7-en-3-amine
CID 79197465
N-ethyl-2-methoxy-2-methyloct-7-en-3-amine
CID 79198266
2,2-diethyl-N-pent-4-enyloxan-4-amine
CID 83033007
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964
6-methoxy-6-methyl-N-propylhept-1-en-4-amine
CID 103024965
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271
2-Methoxy-2-methylnon-8-en-4-amine
CID 103027272
N-ethyl-2-methoxy-2-methylnon-8-en-4-amine
CID 103027273
2-methoxy-2-methyl-N-propylnon-8-en-4-amine
CID 103027274
2-methoxy-N,2-dimethyloct-7-en-4-amine
CID 103027275

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine (CID 103559402) is N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine is C=CCCCC(CC1(OC)CCC1)NCC.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine?
The InChIKey is OYPADKOFYILNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-7-9-13(15-5-2)12-14(16-3)10-8-11-14/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine?
N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclobutyl)hept-6-en-2-amine is sourced from PubChem (CID 103559402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).