N-methyloct-1-en-2-amine

C9H19N — CID 129196255

IUPACN-methyloct-1-en-2-amine
SMILESC=C(CCCCCC)NC
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h10H,2,4-8H2,1,3H3
InChIKeyZTNRMQMMYRMXOK-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.69
Rot. Bonds6

About N-methyloct-1-en-2-amine

N-methyloct-1-en-2-amine (PubChem CID 129196255) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-methyloct-1-en-2-amine.

Molecular Properties

Compound NameN-methyloct-1-en-2-amine
PubChem CID129196255
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-methyloct-1-en-2-amine
SMILESC=C(CCCCCC)NC
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h10H,2,4-8H2,1,3H3
InChIKeyZTNRMQMMYRMXOK-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyloct-1-en-2-amine
CID 169110016
(6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine
CID 166889637
N-propan-2-yldec-1-en-2-amine
CID 166755614
N-butylhept-1-en-2-amine
CID 170620308
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
N-tert-butylhept-1-en-2-amine
CID 143357741
N-methyl-2-methylidenedecan-1-amine
CID 126493414
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyltetradec-1-ene
CID 521375

Frequently Asked Questions

What is the IUPAC name of N-methyloct-1-en-2-amine?
The IUPAC name of N-methyloct-1-en-2-amine (CID 129196255) is N-methyloct-1-en-2-amine.
What is the SMILES notation for N-methyloct-1-en-2-amine?
The canonical SMILES for N-methyloct-1-en-2-amine is C=C(CCCCCC)NC.
What is the InChIKey of N-methyloct-1-en-2-amine?
The InChIKey is ZTNRMQMMYRMXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h10H,2,4-8H2,1,3H3.
What are the key properties of N-methyloct-1-en-2-amine?
N-methyloct-1-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloct-1-en-2-amine is sourced from PubChem (CID 129196255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).