N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine

C17H35N — CID 135255553

IUPACN-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine
SMILESC=C(CC(C)N(C)C(C)CC)CC(C)(C)C(C)C
InChIInChI=1S/C17H35N/c1-10-15(5)18(9)16(6)11-14(4)12-17(7,8)13(2)3/h13,15-16H,4,10-12H2,1-3,5-9H3
InChIKeyXZVRRXBUPAJDNV-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.12
Rot. Bonds8

About N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine

N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine (PubChem CID 135255553) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine
PubChem CID135255553
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine
SMILESC=C(CC(C)N(C)C(C)CC)CC(C)(C)C(C)C
InChIInChI=1S/C17H35N/c1-10-15(5)18(9)16(6)11-14(4)12-17(7,8)13(2)3/h13,15-16H,4,10-12H2,1-3,5-9H3
InChIKeyXZVRRXBUPAJDNV-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine?
The IUPAC name of N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine (CID 135255553) is N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine.
What is the SMILES notation for N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine?
The canonical SMILES for N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine is C=C(CC(C)N(C)C(C)CC)CC(C)(C)C(C)C.
What is the InChIKey of N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine?
The InChIKey is XZVRRXBUPAJDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-10-15(5)18(9)16(6)11-14(4)12-17(7,8)13(2)3/h13,15-16H,4,10-12H2,1-3,5-9H3.
What are the key properties of N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine?
N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,6,6,7-tetramethyl-4-methylideneoctan-2-amine is sourced from PubChem (CID 135255553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).