(3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine

C16H29N — CID 170294988

IUPAC(3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C(C)=C(/C)C(=C)N(C(C)C)C(C)(C)C
InChIInChI=1S/C16H29N/c1-11(2)13(5)14(6)15(7)17(12(3)4)16(8,9)10/h12H,1,7H2,2-6,8-10H3/b14-13-
InChIKeyVVMIQKAEFXTAKF-YPKPFQOOSA-N
MW235.41 g/mol
LogP4.92
Rot. Bonds4

About (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine

(3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine (PubChem CID 170294988) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine
PubChem CID170294988
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C(C)=C(/C)C(=C)N(C(C)C)C(C)(C)C
InChIInChI=1S/C16H29N/c1-11(2)13(5)14(6)15(7)17(12(3)4)16(8,9)10/h12H,1,7H2,2-6,8-10H3/b14-13-
InChIKeyVVMIQKAEFXTAKF-YPKPFQOOSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine (CID 170294988) is (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine is C=C(C)/C(C)=C(/C)C(=C)N(C(C)C)C(C)(C)C.
What is the InChIKey of (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine?
The InChIKey is VVMIQKAEFXTAKF-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H29N/c1-11(2)13(5)14(6)15(7)17(12(3)4)16(8,9)10/h12H,1,7H2,2-6,8-10H3/b14-13-.
What are the key properties of (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine?
(3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 170294988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).