2-methoxy-5-methylideneheptan-3-amine

C9H19NO — CID 79616919

IUPAC2-methoxy-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(N)C(C)OC
InChIInChI=1S/C9H19NO/c1-5-7(2)6-9(10)8(3)11-4/h8-9H,2,5-6,10H2,1,3-4H3
InChIKeyBMQXOYQJRZPBLQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds5

About 2-methoxy-5-methylideneheptan-3-amine

2-methoxy-5-methylideneheptan-3-amine (PubChem CID 79616919) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methoxy-5-methylideneheptan-3-amine.

Molecular Properties

Compound Name2-methoxy-5-methylideneheptan-3-amine
PubChem CID79616919
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methoxy-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(N)C(C)OC
InChIInChI=1S/C9H19NO/c1-5-7(2)6-9(10)8(3)11-4/h8-9H,2,5-6,10H2,1,3-4H3
InChIKeyBMQXOYQJRZPBLQ-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-methylideneheptan-3-amine
CID 66044107
3-methylidene-6-propylnonan-5-amine
CID 105006117
2-methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79197661
6-ethoxy-3-methylidenenonan-5-amine
CID 116717528
2-ethoxy-5-methylideneheptan-3-ol
CID 66046001
3-methyl-6-methylideneoctan-4-ol
CID 66045779
3-amino-2-methyl-7-methylidenenonan-5-one
CID 116606461
(1-methoxy-4-methylidenehexan-2-yl)hydrazine
CID 105207356
6-methylideneoct-1-en-4-amine
CID 116660413
2-methoxy-5-methyloctan-3-amine
CID 79616792
1-(1-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 105006035
2-amino-6-methylideneoctan-4-one
CID 116556046

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylideneheptan-3-amine?
The IUPAC name of 2-methoxy-5-methylideneheptan-3-amine (CID 79616919) is 2-methoxy-5-methylideneheptan-3-amine.
What is the SMILES notation for 2-methoxy-5-methylideneheptan-3-amine?
The canonical SMILES for 2-methoxy-5-methylideneheptan-3-amine is C=C(CC)CC(N)C(C)OC.
What is the InChIKey of 2-methoxy-5-methylideneheptan-3-amine?
The InChIKey is BMQXOYQJRZPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(2)6-9(10)8(3)11-4/h8-9H,2,5-6,10H2,1,3-4H3.
What are the key properties of 2-methoxy-5-methylideneheptan-3-amine?
2-methoxy-5-methylideneheptan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylideneheptan-3-amine is sourced from PubChem (CID 79616919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).