N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine

C15H29N3O — CID 116803512

IUPACN-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
SMILESCCCn1cc(OCCCCCCNC(C)C)cn1
InChIInChI=1S/C15H29N3O/c1-4-10-18-13-15(12-17-18)19-11-8-6-5-7-9-16-14(2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyMOTBFTBQNXIERE-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.23
Rot. Bonds11

About N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine

N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine (PubChem CID 116803512) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
PubChem CID116803512
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
SMILESCCCn1cc(OCCCCCCNC(C)C)cn1
InChIInChI=1S/C15H29N3O/c1-4-10-18-13-15(12-17-18)19-11-8-6-5-7-9-16-14(2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyMOTBFTBQNXIERE-UHFFFAOYSA-N
XLogP3.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
4-propoxy-1-propylpyrazole
CID 116805185
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803505
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
1-ethyl-4-hexoxypyrazole
CID 116804751
4-(5-chloro-3-methylpentoxy)-1-propylpyrazole
CID 116800930
N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
CID 116803867
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
4-(4-bromopyrazol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62441912

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine?
The IUPAC name of N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine (CID 116803512) is N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine.
What is the SMILES notation for N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine?
The canonical SMILES for N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine is CCCn1cc(OCCCCCCNC(C)C)cn1.
What is the InChIKey of N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine?
The InChIKey is MOTBFTBQNXIERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-10-18-13-15(12-17-18)19-11-8-6-5-7-9-16-14(2)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine?
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.23, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine is sourced from PubChem (CID 116803512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).