N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine

C17H35NO — CID 114465862

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
SMILESC=C(C)COCCNC(CCCCC)CCCCC
InChIInChI=1S/C17H35NO/c1-5-7-9-11-17(12-10-8-6-2)18-13-14-19-15-16(3)4/h17-18H,3,5-15H2,1-2,4H3
InChIKeyQSDSVUOIUZSFEV-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.70
Rot. Bonds14

About N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine

N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine (PubChem CID 114465862) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
PubChem CID114465862
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
SMILESC=C(C)COCCNC(CCCCC)CCCCC
InChIInChI=1S/C17H35NO/c1-5-7-9-11-17(12-10-8-6-2)18-13-14-19-15-16(3)4/h17-18H,3,5-15H2,1-2,4H3
InChIKeyQSDSVUOIUZSFEV-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.70
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

N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
2-(heptadecan-9-ylamino)ethyl acetate
CID 19824266
2-methyl-N-propyltridec-1-en-4-amine
CID 105004090
2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405
4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 115973599
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224
4-(undecan-6-ylamino)butan-2-ol
CID 64927734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine (CID 114465862) is N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine is C=C(C)COCCNC(CCCCC)CCCCC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine?
The InChIKey is QSDSVUOIUZSFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-7-9-11-17(12-10-8-6-2)18-13-14-19-15-16(3)4/h17-18H,3,5-15H2,1-2,4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine has a molecular weight of 269.47 g/mol, XLogP of 4.70, 14 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]undecan-6-amine is sourced from PubChem (CID 114465862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).