N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine

C14H31NO3 — CID 113481083

IUPACN-(3-butoxypropyl)-3,3-diethoxypropan-1-amine
SMILESCCCCOCCCNCCC(OCC)OCC
InChIInChI=1S/C14H31NO3/c1-4-7-12-16-13-8-10-15-11-9-14(17-5-2)18-6-3/h14-15H,4-13H2,1-3H3
InChIKeyHHGGRCCNNSOWQE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.57
Rot. Bonds14

About N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine

N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine (PubChem CID 113481083) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3,3-diethoxypropan-1-amine
PubChem CID113481083
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC NameN-(3-butoxypropyl)-3,3-diethoxypropan-1-amine
SMILESCCCCOCCCNCCC(OCC)OCC
InChIInChI=1S/C14H31NO3/c1-4-7-12-16-13-8-10-15-11-9-14(17-5-2)18-6-3/h14-15H,4-13H2,1-3H3
InChIKeyHHGGRCCNNSOWQE-UHFFFAOYSA-N
XLogP2.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
3,3-diethoxy-N-(3-phenoxypropyl)propan-1-amine
CID 81094197
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
N,N'-bis(3,3-diethoxypropyl)butane-1,4-diamine;bis(nitric acid)
CID 71361975
3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458
3-pentoxy-N-propylpropan-1-amine
CID 62451352
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
5-(3,3-diethoxypropylamino)pentanamide
CID 114162185
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine?
The IUPAC name of N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine (CID 113481083) is N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine?
The canonical SMILES for N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine is CCCCOCCCNCCC(OCC)OCC.
What is the InChIKey of N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine?
The InChIKey is HHGGRCCNNSOWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-4-7-12-16-13-8-10-15-11-9-14(17-5-2)18-6-3/h14-15H,4-13H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine?
N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.57, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 113481083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).