(2R)-2-(undecan-6-ylamino)propan-1-ol

C14H31NO — CID 114987067

IUPAC(2R)-2-(undecan-6-ylamino)propan-1-ol
SMILESCCCCCC(CCCCC)N[C@H](C)CO
InChIInChI=1S/C14H31NO/c1-4-6-8-10-14(11-9-7-5-2)15-13(3)12-16/h13-16H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyRKCNXHHLNKVJCN-CYBMUJFWSA-N
MW229.41 g/mol
LogP3.49
Rot. Bonds11

About (2R)-2-(undecan-6-ylamino)propan-1-ol

(2R)-2-(undecan-6-ylamino)propan-1-ol (PubChem CID 114987067) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (2R)-2-(undecan-6-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(undecan-6-ylamino)propan-1-ol
PubChem CID114987067
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(2R)-2-(undecan-6-ylamino)propan-1-ol
SMILESCCCCCC(CCCCC)N[C@H](C)CO
InChIInChI=1S/C14H31NO/c1-4-6-8-10-14(11-9-7-5-2)15-13(3)12-16/h13-16H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyRKCNXHHLNKVJCN-CYBMUJFWSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
2-(butan-2-ylamino)undecan-1-ol
CID 114078301
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
N-heptan-4-ylheptan-2-amine
CID 43572732
1-(decan-5-ylamino)ethanol
CID 174223267
3-(1-hydroxyoctadecan-3-ylamino)octadecan-1-ol
CID 23169302
2-methylsulfanyl-3-(undecan-6-ylamino)butan-1-ol
CID 106159193
N-propan-2-yldodecan-5-amine
CID 79412905
N-propan-2-yltridecan-5-amine
CID 79413155
N-propan-2-ylheptadecan-5-amine
CID 79412665
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(undecan-6-ylamino)propan-1-ol?
The IUPAC name of (2R)-2-(undecan-6-ylamino)propan-1-ol (CID 114987067) is (2R)-2-(undecan-6-ylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(undecan-6-ylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(undecan-6-ylamino)propan-1-ol is CCCCCC(CCCCC)N[C@H](C)CO.
What is the InChIKey of (2R)-2-(undecan-6-ylamino)propan-1-ol?
The InChIKey is RKCNXHHLNKVJCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-6-8-10-14(11-9-7-5-2)15-13(3)12-16/h13-16H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(undecan-6-ylamino)propan-1-ol?
(2R)-2-(undecan-6-ylamino)propan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(undecan-6-ylamino)propan-1-ol is sourced from PubChem (CID 114987067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).