N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine

C13H27NO — CID 115893998

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
SMILESC=C(C)COCCNC(CCC)CCC
InChIInChI=1S/C13H27NO/c1-5-7-13(8-6-2)14-9-10-15-11-12(3)4/h13-14H,3,5-11H2,1-2,4H3
InChIKeyZJMRLFMXDPPLTD-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds10

About N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine

N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine (PubChem CID 115893998) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
PubChem CID115893998
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
SMILESC=C(C)COCCNC(CCC)CCC
InChIInChI=1S/C13H27NO/c1-5-7-13(8-6-2)14-9-10-15-11-12(3)4/h13-14H,3,5-11H2,1-2,4H3
InChIKeyZJMRLFMXDPPLTD-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
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

2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224
4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 115973599
1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894079
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine
CID 114274478

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine (CID 115893998) is N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine is C=C(C)COCCNC(CCC)CCC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine?
The InChIKey is ZJMRLFMXDPPLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-13(8-6-2)14-9-10-15-11-12(3)4/h13-14H,3,5-11H2,1-2,4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine is sourced from PubChem (CID 115893998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).