(5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine

C22H44N2 — CID 121478760

IUPAC(5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine
SMILESC=C(C(C)N[C@](C)(CC)C(=C)C(C)C)C(CC)(CC)[C@](C)(N)CC
InChIInChI=1S/C22H44N2/c1-12-20(10,17(7)16(5)6)24-19(9)18(8)22(14-3,15-4)21(11,23)13-2/h16,19,24H,7-8,12-15,23H2,1-6,9-11H3/t19?,20-,21-/m1/s1
InChIKeySBZKTVHFAOUUKW-RWLBOTFQSA-N
MW336.61 g/mol
LogP5.84
Rot. Bonds11

About (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine

(5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine (PubChem CID 121478760) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine.

Molecular Properties

Compound Name(5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine
PubChem CID121478760
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name(5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine
SMILESC=C(C(C)N[C@](C)(CC)C(=C)C(C)C)C(CC)(CC)[C@](C)(N)CC
InChIInChI=1S/C22H44N2/c1-12-20(10,17(7)16(5)6)24-19(9)18(8)22(14-3,15-4)21(11,23)13-2/h16,19,24H,7-8,12-15,23H2,1-6,9-11H3/t19?,20-,21-/m1/s1
InChIKeySBZKTVHFAOUUKW-RWLBOTFQSA-N
XLogP5.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine?
The IUPAC name of (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine (CID 121478760) is (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine.
What is the SMILES notation for (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine?
The canonical SMILES for (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine is C=C(C(C)N[C@](C)(CC)C(=C)C(C)C)C(CC)(CC)[C@](C)(N)CC.
What is the InChIKey of (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine?
The InChIKey is SBZKTVHFAOUUKW-RWLBOTFQSA-N. The full InChI is InChI=1S/C22H44N2/c1-12-20(10,17(7)16(5)6)24-19(9)18(8)22(14-3,15-4)21(11,23)13-2/h16,19,24H,7-8,12-15,23H2,1-6,9-11H3/t19?,20-,21-/m1/s1.
What are the key properties of (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine?
(5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine has a molecular weight of 336.61 g/mol, XLogP of 5.84, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine is sourced from PubChem (CID 121478760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).