7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine

C19H39N — CID 155239768

IUPAC7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine
SMILESC=C(C)NC(CC(C(C)CC)C(C)(C)C)C(C)CCC
InChIInChI=1S/C19H39N/c1-10-12-16(6)18(20-14(3)4)13-17(15(5)11-2)19(7,8)9/h15-18,20H,3,10-13H2,1-2,4-9H3
InChIKeyPKPFNHDZTFNRTQ-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.01
Rot. Bonds9

About 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine

7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine (PubChem CID 155239768) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine.

Molecular Properties

Compound Name7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine
PubChem CID155239768
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine
SMILESC=C(C)NC(CC(C(C)CC)C(C)(C)C)C(C)CCC
InChIInChI=1S/C19H39N/c1-10-12-16(6)18(20-14(3)4)13-17(15(5)11-2)19(7,8)9/h15-18,20H,3,10-13H2,1-2,4-9H3
InChIKeyPKPFNHDZTFNRTQ-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine?
The IUPAC name of 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine (CID 155239768) is 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine.
What is the SMILES notation for 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine?
The canonical SMILES for 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine is C=C(C)NC(CC(C(C)CC)C(C)(C)C)C(C)CCC.
What is the InChIKey of 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine?
The InChIKey is PKPFNHDZTFNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-10-12-16(6)18(20-14(3)4)13-17(15(5)11-2)19(7,8)9/h15-18,20H,3,10-13H2,1-2,4-9H3.
What are the key properties of 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine?
7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine has a molecular weight of 281.53 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine is sourced from PubChem (CID 155239768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).