(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine

C17H37N — CID 172617141

IUPAC(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine
SMILESCCCCCN(CCC)C(CC)CC[C@H](C)CC
InChIInChI=1S/C17H37N/c1-6-10-11-15-18(14-7-2)17(9-4)13-12-16(5)8-3/h16-17H,6-15H2,1-5H3/t16-,17?/m1/s1
InChIKeyLJQLKKFKLKVZOF-TZHYSIJRSA-N
MW255.49 g/mol
LogP5.49
Rot. Bonds12

About (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine

(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine (PubChem CID 172617141) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine
PubChem CID172617141
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine
SMILESCCCCCN(CCC)C(CC)CC[C@H](C)CC
InChIInChI=1S/C17H37N/c1-6-10-11-15-18(14-7-2)17(9-4)13-12-16(5)8-3/h16-17H,6-15H2,1-5H3/t16-,17?/m1/s1
InChIKeyLJQLKKFKLKVZOF-TZHYSIJRSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-methyloctan-3-amine;hydrofluoride
CID 174901011
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
N-butyl-N-(7-methylnonyl)tetradecan-1-amine
CID 172562236
N-(2-chloroethyl)-N-pentan-3-ylheptan-1-amine
CID 55184405
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine
CID 63760495
lithium 4-[di(tridecyl)amino]hexanoate
CID 101314489
calcium bis(4-[di(tricosyl)amino]hexanoate)
CID 101314742
calcium bis(4-[di(tetradecyl)amino]hexanoate)
CID 101314517
potassium 4-[di(tetracosyl)amino]hexanoate
CID 101314765
sodium 4-(didecylamino)hexanoate
CID 101314417
sodium 4-(dioctylamino)hexanoate
CID 101313492
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine?
The IUPAC name of (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine (CID 172617141) is (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine.
What is the SMILES notation for (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine?
The canonical SMILES for (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine is CCCCCN(CCC)C(CC)CC[C@H](C)CC.
What is the InChIKey of (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine?
The InChIKey is LJQLKKFKLKVZOF-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H37N/c1-6-10-11-15-18(14-7-2)17(9-4)13-12-16(5)8-3/h16-17H,6-15H2,1-5H3/t16-,17?/m1/s1.
What are the key properties of (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine?
(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine has a molecular weight of 255.49 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-N-pentyl-N-propyloctan-3-amine is sourced from PubChem (CID 172617141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).