N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine

C15H34N2 — CID 163415611

IUPACN'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine
SMILESCCCN(CCN)[C@](C)(CCC(C)C)C(C)C
InChIInChI=1S/C15H34N2/c1-7-11-17(12-10-16)15(6,14(4)5)9-8-13(2)3/h13-14H,7-12,16H2,1-6H3/t15-/m1/s1
InChIKeyAECUFWHLESAPLI-OAHLLOKOSA-N
MW242.45 g/mol
LogP3.51
Rot. Bonds9

About N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine

N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine (PubChem CID 163415611) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine
PubChem CID163415611
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine
SMILESCCCN(CCN)[C@](C)(CCC(C)C)C(C)C
InChIInChI=1S/C15H34N2/c1-7-11-17(12-10-16)15(6,14(4)5)9-8-13(2)3/h13-14H,7-12,16H2,1-6H3/t15-/m1/s1
InChIKeyAECUFWHLESAPLI-OAHLLOKOSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine?
The IUPAC name of N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine (CID 163415611) is N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine?
The canonical SMILES for N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine is CCCN(CCN)[C@](C)(CCC(C)C)C(C)C.
What is the InChIKey of N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine?
The InChIKey is AECUFWHLESAPLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-11-17(12-10-16)15(6,14(4)5)9-8-13(2)3/h13-14H,7-12,16H2,1-6H3/t15-/m1/s1.
What are the key properties of N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine?
N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-[(3R)-2,3,6-trimethylheptan-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 163415611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).