N-methyl-N-prop-2-enylhenicosan-11-amine

C25H51N — CID 174654754

IUPACN-methyl-N-prop-2-enylhenicosan-11-amine
SMILESC=CCN(C)C(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C25H51N/c1-5-8-10-12-14-16-18-20-22-25(26(4)24-7-3)23-21-19-17-15-13-11-9-6-2/h7,25H,3,5-6,8-24H2,1-2,4H3
InChIKeyCXQKKDQERBHGLA-UHFFFAOYSA-N
MW365.69 g/mol
LogP8.53
Rot. Bonds21

About N-methyl-N-prop-2-enylhenicosan-11-amine

N-methyl-N-prop-2-enylhenicosan-11-amine (PubChem CID 174654754) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylhenicosan-11-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylhenicosan-11-amine
PubChem CID174654754
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC NameN-methyl-N-prop-2-enylhenicosan-11-amine
SMILESC=CCN(C)C(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C25H51N/c1-5-8-10-12-14-16-18-20-22-25(26(4)24-7-3)23-21-19-17-15-13-11-9-6-2/h7,25H,3,5-6,8-24H2,1-2,4H3
InChIKeyCXQKKDQERBHGLA-UHFFFAOYSA-N
XLogP8.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-icosan-2-yl-N-prop-2-enylicosan-2-amine;hydrochloride
CID 175193055
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N-chloro-N-methylhenicosan-11-amine
CID 141096758
(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine
CID 56944347
N,N-dimethylhenicos-1-en-3-amine
CID 174322133

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylhenicosan-11-amine?
The IUPAC name of N-methyl-N-prop-2-enylhenicosan-11-amine (CID 174654754) is N-methyl-N-prop-2-enylhenicosan-11-amine.
What is the SMILES notation for N-methyl-N-prop-2-enylhenicosan-11-amine?
The canonical SMILES for N-methyl-N-prop-2-enylhenicosan-11-amine is C=CCN(C)C(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of N-methyl-N-prop-2-enylhenicosan-11-amine?
The InChIKey is CXQKKDQERBHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N/c1-5-8-10-12-14-16-18-20-22-25(26(4)24-7-3)23-21-19-17-15-13-11-9-6-2/h7,25H,3,5-6,8-24H2,1-2,4H3.
What are the key properties of N-methyl-N-prop-2-enylhenicosan-11-amine?
N-methyl-N-prop-2-enylhenicosan-11-amine has a molecular weight of 365.69 g/mol, XLogP of 8.53, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylhenicosan-11-amine is sourced from PubChem (CID 174654754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).