N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine

C16H31NO — CID 169302315

IUPACN-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NC(C)COCC
InChIInChI=1S/C16H31NO/c1-7-10-16(6,11-8-2)12-14(4)17-15(5)13-18-9-3/h7-8,14-15,17H,1-2,9-13H2,3-6H3
InChIKeySTESQPIPUUSKEJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.94
Rot. Bonds11

About N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine

N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine (PubChem CID 169302315) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
PubChem CID169302315
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NC(C)COCC
InChIInChI=1S/C16H31NO/c1-7-10-16(6,11-8-2)12-14(4)17-15(5)13-18-9-3/h7-8,14-15,17H,1-2,9-13H2,3-6H3
InChIKeySTESQPIPUUSKEJ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.94
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

N-[1-(2,2-dimethylpropoxy)propan-2-yl]-3,3-dimethylhex-1-en-2-amine
CID 156259745
N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 164549619
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 164549620
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 164549621
N-[2-(2-methoxyethoxy)ethyl]-4-methylhept-6-en-2-amine
CID 164549622
N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 169094955
N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine
CID 174110159
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine
CID 174110160
N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine
CID 174110162
N-[2-(2-methoxyethoxy)ethyl]-2-propylpent-4-en-1-amine
CID 174110163
2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine
CID 10821870
5-Hepten-3-amine, N-(2-methoxy-1-methylethyl)-2,2-dimethyl-, [R*,R*-(Z)]-
CID 10910879

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine (CID 169302315) is N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NC(C)COCC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The InChIKey is STESQPIPUUSKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-10-16(6,11-8-2)12-14(4)17-15(5)13-18-9-3/h7-8,14-15,17H,1-2,9-13H2,3-6H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine is sourced from PubChem (CID 169302315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).