(3S)-6-methoxy-3-propylhept-6-en-1-amine

C11H23NO — CID 88673571

IUPAC(3S)-6-methoxy-3-propylhept-6-en-1-amine
SMILESC=C(CC[C@H](CCC)CCN)OC
InChIInChI=1S/C11H23NO/c1-4-5-11(8-9-12)7-6-10(2)13-3/h11H,2,4-9,12H2,1,3H3/t11-/m0/s1
InChIKeyLVIFELXXHATAEP-NSHDSACASA-N
MW185.31 g/mol
LogP2.69
Rot. Bonds8

About (3S)-6-methoxy-3-propylhept-6-en-1-amine

(3S)-6-methoxy-3-propylhept-6-en-1-amine (PubChem CID 88673571) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S)-6-methoxy-3-propylhept-6-en-1-amine.

Molecular Properties

Compound Name(3S)-6-methoxy-3-propylhept-6-en-1-amine
PubChem CID88673571
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S)-6-methoxy-3-propylhept-6-en-1-amine
SMILESC=C(CC[C@H](CCC)CCN)OC
InChIInChI=1S/C11H23NO/c1-4-5-11(8-9-12)7-6-10(2)13-3/h11H,2,4-9,12H2,1,3H3/t11-/m0/s1
InChIKeyLVIFELXXHATAEP-NSHDSACASA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797
methyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116272
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
2-cyclopropylethyl 4-(2-aminoethyl)heptanoate
CID 114157607
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
cyclopentylmethyl 4-(2-aminoethyl)heptanoate
CID 66323726
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773
4-(2-aminoethyl)-9-ethyltridecan-7-one
CID 116582753

Frequently Asked Questions

What is the IUPAC name of (3S)-6-methoxy-3-propylhept-6-en-1-amine?
The IUPAC name of (3S)-6-methoxy-3-propylhept-6-en-1-amine (CID 88673571) is (3S)-6-methoxy-3-propylhept-6-en-1-amine.
What is the SMILES notation for (3S)-6-methoxy-3-propylhept-6-en-1-amine?
The canonical SMILES for (3S)-6-methoxy-3-propylhept-6-en-1-amine is C=C(CC[C@H](CCC)CCN)OC.
What is the InChIKey of (3S)-6-methoxy-3-propylhept-6-en-1-amine?
The InChIKey is LVIFELXXHATAEP-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-11(8-9-12)7-6-10(2)13-3/h11H,2,4-9,12H2,1,3H3/t11-/m0/s1.
What are the key properties of (3S)-6-methoxy-3-propylhept-6-en-1-amine?
(3S)-6-methoxy-3-propylhept-6-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-methoxy-3-propylhept-6-en-1-amine is sourced from PubChem (CID 88673571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).