N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)

C63H137N — CID 163256976

IUPACN,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)
SMILESC=C(C)CCC.C=C(C)CCC.CC.CC.CCCCCCCCCCC(CC)CCCCCCCC.CCCCCCCCCCC(CC)CCCCCCCC.CCCN(C)C
InChIInChI=1S/2C21H44.2C6H12.C5H13N.2C2H6/c2*1-4-7-9-11-13-14-16-18-20-21(6-3)19-17-15-12-10-8-5-2;3*1-4-5-6(2)3;2*1-2/h2*21H,4-20H2,1-3H3;2*2,4-5H2,1,3H3;4-5H2,1-3H3;2*1-2H3
InChIKeyDJUVNMIMGTWLMR-UHFFFAOYSA-N
MW908.80 g/mol
LogP24.32
Rot. Bonds40

About N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)

N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene) (PubChem CID 163256976) has the molecular formula C63H137N and a molecular weight of 908.80 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene).

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)
PubChem CID163256976
Molecular FormulaC63H137N
Molecular Weight908.80 g/mol
Exact Mass908.08
IUPAC NameN,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)
SMILESC=C(C)CCC.C=C(C)CCC.CC.CC.CCCCCCCCCCC(CC)CCCCCCCC.CCCCCCCCCCC(CC)CCCCCCCC.CCCN(C)C
InChIInChI=1S/2C21H44.2C6H12.C5H13N.2C2H6/c2*1-4-7-9-11-13-14-16-18-20-21(6-3)19-17-15-12-10-8-5-2;3*1-4-5-6(2)3;2*1-2/h2*21H,4-20H2,1-3H3;2*2,4-5H2,1,3H3;4-5H2,1-3H3;2*1-2H3
InChIKeyDJUVNMIMGTWLMR-UHFFFAOYSA-N
XLogP24.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds40
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.80
LogP ≤ 524.32
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)?
The IUPAC name of N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene) (CID 163256976) is N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene).
What is the SMILES notation for N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)?
The canonical SMILES for N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene) is C=C(C)CCC.C=C(C)CCC.CC.CC.CCCCCCCCCCC(CC)CCCCCCCC.CCCCCCCCCCC(CC)CCCCCCCC.CCCN(C)C.
What is the InChIKey of N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)?
The InChIKey is DJUVNMIMGTWLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H44.2C6H12.C5H13N.2C2H6/c2*1-4-7-9-11-13-14-16-18-20-21(6-3)19-17-15-12-10-8-5-2;3*1-4-5-6(2)3;2*1-2/h2*21H,4-20H2,1-3H3;2*2,4-5H2,1,3H3;4-5H2,1-3H3;2*1-2H3.
What are the key properties of N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)?
N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene) has a molecular weight of 908.80 g/mol, XLogP of 24.32, 40 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene) is sourced from PubChem (CID 163256976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).