N,N-di(propan-2-yl)undec-10-en-1-amine

C17H35N — CID 101138271

IUPACN,N-di(propan-2-yl)undec-10-en-1-amine
SMILESC=CCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C17H35N/c1-6-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4)5/h6,16-17H,1,7-15H2,2-5H3
InChIKeyJNIOMWSIILLGCC-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.41
Rot. Bonds12

About N,N-di(propan-2-yl)undec-10-en-1-amine

N,N-di(propan-2-yl)undec-10-en-1-amine (PubChem CID 101138271) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N,N-di(propan-2-yl)undec-10-en-1-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)undec-10-en-1-amine
PubChem CID101138271
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN,N-di(propan-2-yl)undec-10-en-1-amine
SMILESC=CCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C17H35N/c1-6-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4)5/h6,16-17H,1,7-15H2,2-5H3
InChIKeyJNIOMWSIILLGCC-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.41
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-di(propan-2-yl)undec-10-en-1-amine?
The IUPAC name of N,N-di(propan-2-yl)undec-10-en-1-amine (CID 101138271) is N,N-di(propan-2-yl)undec-10-en-1-amine.
What is the SMILES notation for N,N-di(propan-2-yl)undec-10-en-1-amine?
The canonical SMILES for N,N-di(propan-2-yl)undec-10-en-1-amine is C=CCCCCCCCCCN(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)undec-10-en-1-amine?
The InChIKey is JNIOMWSIILLGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4)5/h6,16-17H,1,7-15H2,2-5H3.
What are the key properties of N,N-di(propan-2-yl)undec-10-en-1-amine?
N,N-di(propan-2-yl)undec-10-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)undec-10-en-1-amine is sourced from PubChem (CID 101138271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).