(4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine

C14H29N — CID 139302731

IUPAC(4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine
SMILESC=C(C)C(C[C@H](C)C(C)(C)C)CN(C)C
InChIInChI=1S/C14H29N/c1-11(2)13(10-15(7)8)9-12(3)14(4,5)6/h12-13H,1,9-10H2,2-8H3/t12-,13?/m0/s1
InChIKeyLVNQYXUXCWUTAJ-UEWDXFNNSA-N
MW211.39 g/mol
LogP3.81
Rot. Bonds5

About (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine

(4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine (PubChem CID 139302731) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine.

Molecular Properties

Compound Name(4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine
PubChem CID139302731
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine
SMILESC=C(C)C(C[C@H](C)C(C)(C)C)CN(C)C
InChIInChI=1S/C14H29N/c1-11(2)13(10-15(7)8)9-12(3)14(4,5)6/h12-13H,1,9-10H2,2-8H3/t12-,13?/m0/s1
InChIKeyLVNQYXUXCWUTAJ-UEWDXFNNSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.81
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 (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine?
The IUPAC name of (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine (CID 139302731) is (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine.
What is the SMILES notation for (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine?
The canonical SMILES for (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine is C=C(C)C(C[C@H](C)C(C)(C)C)CN(C)C.
What is the InChIKey of (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine?
The InChIKey is LVNQYXUXCWUTAJ-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)13(10-15(7)8)9-12(3)14(4,5)6/h12-13H,1,9-10H2,2-8H3/t12-,13?/m0/s1.
What are the key properties of (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine?
(4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N,4,5,5-pentamethyl-2-prop-1-en-2-ylhexan-1-amine is sourced from PubChem (CID 139302731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).